SCHEMBL6981683

SCHEMBL6981683

Nc1nc(C(=O)O)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GLA P06280 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 3/20 0.46
IGFBP3 P17936 3/20 0.44
MGAM O43451 1/20 0.43
IDO1 P14902 1/20 0.43
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ACMSD Q8TDX5 1/20 0.42
HTR3A P46098 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 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
SCHEMBL29883306 1.00 KDM4E (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL9327979 0.79 IGFBP3 (0.52) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL4768998 0.79 KDM4E (0.52) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL3205661 0.79 IGFBP3 (0.49) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL1990776 0.78 KDM4E (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL31165745 0.78 MEN1 (0.55) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL30420994 0.78 ALDH1A1 (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL30023908 0.78 KDM4E (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL1202533 0.78 ALDH1A1 (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL12146113 0.76 HTR3A (0.44) KDM4EHPGDHSD17B10ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105377251-A Mobilizing agents and uses thereof MATER MEDICAL RES INST LTD 2016-03-02 CN disclosed
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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 (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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL KDM4E 3526/4885GLA 597/4885HPGD 1117/4885

“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.