SCHEMBL292758

SCHEMBL292758

O=C1OCNc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
PAX8 Q06710 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
CDC25B P30305 3/20 0.37
PTPRC P08575 2/20 0.37
S100A4 P26447 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
GSK3B P49841 4/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3668283 0.74
SCHEMBL12210337 0.74 TDP1 (0.45) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL30098849 0.72 TDP1 (0.39) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL2872670 0.72 TDP1 (0.39) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL2130102 0.71 TDP1 (0.42) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL291842 0.71 MEN1 (0.44) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL449945 0.69 MAOA (0.43) TDP1MEN1KMT2AGAACDC25B
SCHEMBL3849368 0.69 CYP1A2 (0.47) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL1728678 0.68 MAOA (0.47) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL20414232 0.68 KMT2A (0.39) TDP1TDP2NSD2ABL1PLCG1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US claimed
US-20090087443-A1 Pharmacological Adjunctive Treatment Associated with Glaucoma Filtration Surgery BAUSCH HEALTH HOLDCO LIMITED (IE) 2009-04-02 US claimed
US-20080171873-A1 Synthesis of selected stereoisomers of certain substituted alcohols BAUSCH & LOMB INCORPORATED 2008-07-17 US claimed
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy BAUSCH & LOMB INCORPORATED 2008-03-13 US claimed
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof VRX HOLDCO LLC 2008-03-06 US claimed
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH HEALTH US, LLC 2008-02-07 US claimed
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF BAUSCH HEALTH COMPANIES INC. (CA) 2008-02-07 US claimed
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye SALIX PHARMACEUTICALS, INC. 2008-01-10 US claimed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US claimed
EP-2056799-B1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB (US) 2013-07-31 EP disclosed
EP-2203160-B1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY BAUSCH & LOMB (US) 2013-07-17 EP disclosed
EP-2190431-B1 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB (US) 2013-07-03 EP disclosed
EP-2364707-B1 Compositions and methods for treating, controlling, reducing, or ameliorating infections and sequelae thereof BAUSCH & LOMB (US) 2013-04-03 EP disclosed
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN SOLTA MEDICAL IRELAND LIMITED (IE) 2012-12-13 US disclosed
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH HEALTH US, LLC 2008-02-07 US disclosed
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF BAUSCH HEALTH COMPANIES INC. (CA) 2008-02-07 US disclosed
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye SALIX PHARMACEUTICALS, INC. 2008-01-10 US disclosed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF NR3C1, GNRHR, GSR TDP1 3678/4885TDP2 4153/4885NSD2 4388/4885
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES PTGIR, GCGR, NR3C1 TDP1 2656/4885TDP2 2686/4885NSD2 4311/4885
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye NR3C1, GCGR, GPBAR1 TDP1 3688/4885TDP2 3737/4885NSD2 4450/4885
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof PTGIR, PTGDR, NR3C1 TDP1 1436/4885TDP2 1588/4885NSD2 4428/4885
US-20080171873-A1 Synthesis of selected stereoisomers of certain substituted alcohols ADH1A, ADH1C, ADH5 TDP1 4229/4885TDP2 4400/4885NSD2 3667/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R TDP1 1844/4885TDP2 3076/4885NSD2 4374/4885
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN PTGIR, MC2R, NR3C1 TDP1 2442/4885TDP2 2531/4885NSD2 3902/4885
US-20090087443-A1 Pharmacological Adjunctive Treatment Associated with Glaucoma Filtration Surgery TGFBR1, TGFBR2, PTGIR TDP1 1931/4885TDP2 2038/4885NSD2 4733/4885
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy CYSLTR1, LTB4R, CYSLTR2 TDP1 3897/4885TDP2 4099/4885NSD2 2509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.