SCHEMBL6513253

SCHEMBL6513253

COC(=O)c1ccccc1NCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
GLA P06280 1/20 1.00
POLB P06746 1/20 0.61
ATM Q13315 1/20 0.61
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.56
ALOX15 P16050 1/20 0.56
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 3/20 0.54
ALDH1A1 P00352 6/20 0.51
HSD17B10 Q99714 4/20 0.51
HTT P42858 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
TSHR P16473 4/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPK10 P53779 1/20 0.50

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
SCHEMBL27829693 0.90 KDM4E (0.82) KDM4EGLAPOLBATMKMT2A
SCHEMBL27829710 0.89 KDM4E (0.79) KDM4EGLAPOLBATMKMT2A
SCHEMBL7819029 0.86 KDM4E (0.76) KDM4EGLAPOLBATMKMT2A
SCHEMBL8062417 0.85 KDM4E (0.74) KDM4EGLAKMT2AMEN1GAA
SCHEMBL10364552 0.85 KDM4E (0.73) KDM4EGLAPOLBATMKMT2A
SCHEMBL1643649 0.84 KDM4E (0.72) KDM4EGLAPOLBATMKMT2A
SCHEMBL6318031 0.84 KDM4E (0.72) KDM4EGLAPOLBATMKMT2A
SCHEMBL16691019 0.83 KDM4E (0.71) KDM4EGLAPOLBATMKMT2A
SCHEMBL15850369 0.83 KDM4E (0.71) KDM4EGLAPOLBATMKMT2A
SCHEMBL28672732 0.83 KDM4E (0.71) KDM4EGLAPOLBATMKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981031-A Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
EP-0844992-B1 PROCESS FOR PRODUCING BETA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA (DE) 2000-05-24 EP disclosed
EP-0844992-A1 PROCESS FOR PRODUCING $g(b)-AMINO-$g(a)-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF Degussa Aktiengesellschaft (DE) 1998-06-03 EP disclosed
WO-1997002236-A1 PROCESS FOR PRODUCING β-AMINO-α-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed
US-4522945-A SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-11 US disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed
US-4335127-A POTENT SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 US disclosed
US-4234482-A Substituted 3-carbalkoxy 4-alkylamino-azobenzene compound as disperse dyestuffs for synthetic fibers PRODUITS CHIMIQUES UGINE KUHLMANN SERVICE PROPRIETE INDUSTRIELLE (FR) 1980-11-18 US disclosed
EP-0013612-A2 (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-07-23 EP 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 (1 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885GLA 3621/4885POLB 3257/4885

“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.