SCHEMBL1624612

SCHEMBL1624612

Cc1cccc(CNC(=O)CN(C(=O)c2cccc(C(=N)N)c2)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.49
F10 P00742 4/20 0.45
F2 P00734 5/20 0.45
PRSS1 P07477 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLAU P00749 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL1622988 0.91 F2 (0.55) F10F2PRSS1HDAC1HDAC6
SCHEMBL1622251 0.89 F10 (0.47) F10F2PRSS1HDAC1HDAC6
SCHEMBL1624414 0.88 PKM (0.53) F10F2PRSS1HDAC1HDAC6
SCHEMBL1625575 0.88 F7 (0.52) F10F2HDAC1HDAC6PKM
SCHEMBL1625128 0.88 KDM4E (0.48) NR1H4F10F2HDAC1HDAC6
SCHEMBL1624128 0.87 F2 (0.49) F10F2PRSS1HDAC1HDAC6
SCHEMBL1623574 0.86 F2 (0.53) F10F2PRSS1HDAC1HDAC6
SCHEMBL1622028 0.85 LMNA (0.48) F10F2HDAC1HDAC6KMT2A
SCHEMBL1624584 0.84 HDAC1 (0.47) F10F2PRSS1HDAC1HDAC6
SCHEMBL1624473 0.84 PKM (0.49) F10F2PRSS1HDAC1HDAC6

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 7 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
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 NR1H4 4266/4885F10 292/4885F2 103/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 NR1H4 4231/4885F10 378/4885F2 113/4885

“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.