SCHEMBL1624813

SCHEMBL1624813

N=C(N)c1cccc(C(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
FAAH O00519 3/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
EPHX2 P34913 6/20 0.42
CNR2 P34972 1/20 0.41
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F10 P00742 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1625149 0.87 ALDH1A1 (0.52) ALDH1A1GAAFAAHKMT2AMEN1
SCHEMBL1624740 0.86 P2RX7 (0.49) ALDH1A1EPHX2F10
SCHEMBL1624063 0.82 KMT2A (0.41) KMT2AEPHX2F10
SCHEMBL1622252 0.79 MEN1 (0.46) ALDH1A1KMT2AMEN1F10MAPK1
SCHEMBL1623020 0.78 F10 (0.56) F10
SCHEMBL1623001 0.78 KDM1A (0.44) EPHX2SMN1; SMN2
SCHEMBL1625707 0.77 F2 (0.53) F10
SCHEMBL1624324 0.77 MAPT (0.43) KMT2AMEN1F10HDAC1HDAC6
SCHEMBL1623574 0.76 F2 (0.53) F10HDAC1HDAC6
SCHEMBL1624321 0.76 F10 (0.51) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 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
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN 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 (2 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-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN ALDH1A1 4419/4885GAA 575/4885FAAH 1040/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 ALDH1A1 3629/4885GAA 548/4885FAAH 859/4885

“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.