SCHEMBL4394904

SCHEMBL4394904

NCCc1cccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
TBXAS1 P24557 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
FERMT2 Q96AC1 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.43
HRH1 P35367 1/20 0.42
NCF1 P14598 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
CHRM1 P11229 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
Hydrochloric Acid SCHEMBL20593116 0.98 CYP19A1 (0.53) CYP19A1TBXAS1LOXL2MAPTKDM4E
SCHEMBL6223283 0.86 LOXL2 (0.71) LOXL2MAPTKDM4EFERMT2LMNA
Trifluoroacetic Acid SCHEMBL20562445 0.85 CYP19A1 (0.43) CYP19A1TBXAS1LOXL2KDM4ELMNA
Hydrochloric Acid SCHEMBL20592932 0.85 LOXL2 (0.69) LOXL2MAPTKDM4EFERMT2LMNA
SCHEMBL31038391 0.84 LOXL2 (0.74) CYP19A1TBXAS1LOXL2MAPTKDM4E
SCHEMBL3288710 0.84 LOXL2 (0.74) CYP19A1TBXAS1LOXL2MAPTKDM4E
SCHEMBL6114797 0.81 CYP19A1 (0.54) CYP19A1TBXAS1LOXL2MAPTKDM4E
SCHEMBL5500729 0.81 CYP19A1 (0.54) CYP19A1TBXAS1LOXL2MAPTKDM4E
SCHEMBL6970292 0.81 CYP19A1 (0.54) CYP19A1TBXAS1LOXL2MAPTKDM4E
SCHEMBL5537149 0.81 CYP19A1 (0.54) CYP19A1TBXAS1LOXL2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1451009-A Glucocortiocoid-selective antinflammatory agents ABBOTT LAB (US) 2003-10-22 CN claimed
CN-1119348-C glucocorticoid derivatives, compositions and uses thereof ABBOTT INC (US) 2003-08-27 CN claimed
EP-1299392-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS Abbott Laboratories (US) 2003-04-09 EP claimed
WO-2002002565-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO claimed
CN-1296486-A Glucocorticoid-selective anti-inflammatory agents ABBOTT LAB (US) 2001-05-23 CN claimed
EP-2772480-B2 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2020-12-09 EP disclosed
EP-2772480-B1 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2018-05-23 EP disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
CN-1451009-A Glucocortiocoid-selective antinflammatory agents ABBOTT LAB (US) 2003-10-22 CN disclosed
CN-1119348-C glucocorticoid derivatives, compositions and uses thereof ABBOTT INC (US) 2003-08-27 CN disclosed
CN-1422953-A Gene sequence of Japanese shistosome China mainland strain gynecophoric canal protein SHANGHAI DOMESTIC ANIMAL PARAS (CN) 2003-06-11 CN disclosed
CN-1296486-A Glucocorticoid-selective anti-inflammatory agents ABBOTT LAB (US) 2001-05-23 CN 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 CYP19A1 80/4885TBXAS1 221/4885LOXL2 1466/4885

“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.