SCHEMBL1625149

SCHEMBL1625149

NCc1cccc(C(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
FAAH O00519 4/20 0.47
CNR2 P34972 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
EPHX2 P34913 6/20 0.46
MAPK1 P28482 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX1 P07099 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1624813 0.87 ALDH1A1 (0.51) ALDH1A1GAANPC1RAB9AFAAH
SCHEMBL5210877 0.78 ADRA2C (0.52) GAANPC1KMT2AMEN1
SCHEMBL5211530 0.76 F10 (0.46) HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL5212474 0.74 CFD (0.44) ALDH1A1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5210679 0.73 CFD (0.46) ALDH1A1KMT2A
SCHEMBL1624740 0.73 P2RX7 (0.49) ALDH1A1EPHX2
SCHEMBL3455851 0.72 NPC1 (0.61) ALDH1A1GAANPC1RAB9AFAAH
Hydrochloric Acid SCHEMBL5217194 0.71 ACHE (0.43) ALDH1A1KMT2AMEN1
SCHEMBL1622251 0.71 F10 (0.47) HDAC1HDAC6
SCHEMBL6988918 0.71 ADRA2C (0.52) GAANPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP claimed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US claimed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US claimed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP claimed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO claimed
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 US disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000077027-A2 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2000-12-21 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 (4 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ALDH1A1 2580/4885GAA 684/4885NPC1 3113/4885
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 ALDH1A1 3629/4885GAA 548/4885NPC1 1854/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN ALDH1A1 4419/4885GAA 575/4885NPC1 2130/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ALDH1A1 1335/4885GAA 843/4885NPC1 1831/4885

“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.