SCHEMBL431391

SCHEMBL431391

N=C(N)c1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.59
PRSS2 P07478 5/20 0.59
PRSS3 P35030 5/20 0.59
F2 P00734 4/20 0.58
F10 P00742 4/20 0.58
F12 P00748 1/20 0.56
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
PKM P14618 1/20 0.56
C1S P09871 2/20 0.55
PLG P00747 1/20 0.55
BLM P54132 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA6 P23280 1/20 0.54
CA9 Q16790 1/20 0.54
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52

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
Ammonia Solution, Strong SCHEMBL5000063 0.98 F2 (0.57) PRSS1PRSS2PRSS3F2F10
Ammonia Solution, Strong SCHEMBL5000059 0.98 F2 (0.57) PRSS1PRSS2PRSS3F2F10
Isophthalic Acid SCHEMBL8641745 0.91 CA12 (0.58) PRSS1PRSS2PRSS3F2F10
SCHEMBL7113226 0.90 PRSS1 (0.75) PRSS1PRSS2PRSS3F2F10
Isophthalic Acid SCHEMBL8647102 0.86 CA12 (0.62) PRSS1PRSS2PRSS3F2PKM
SCHEMBL15547311 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3F2F10
SCHEMBL9271119 0.84 ATM (0.60) PRSS1PRSS2PRSS3F2F10
SCHEMBL2850803 0.84 PARP1 (0.59) PRSS1PRSS2PRSS3F2F10
Isophthalic Acid SCHEMBL4882153 0.84 CA12 (0.65) PRSS1PRSS2PRSS3F2PKM
Isophthalic Acid SCHEMBL4614187 0.84 CA12 (0.65) PRSS1PRSS2PRSS3F2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 US claimed
US-8853211-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20110269765-A1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 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
US-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 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 (9 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 PRSS1 3/4885PRSS2 9/4885PRSS3 10/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA PRSS1 3478/4885PRSS2 3242/4885PRSS3 2207/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 PRSS1 4314/4885PRSS2 3742/4885PRSS3 3079/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 PRSS1 2054/4885PRSS2 866/4885PRSS3 2920/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 PRSS1 4545/4885PRSS2 4251/4885PRSS3 3269/4885
US-20030135055-A1 Aminosulfonylbiphenyl derivatives APOB, F12, SERPINB1 PRSS1 34/4885PRSS2 129/4885PRSS3 156/4885
US-20110269765-A1 Pyridazinone derivatives MET, RET, ERBB2 PRSS1 1577/4885PRSS2 2389/4885PRSS3 2453/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 PRSS1 2054/4885PRSS2 866/4885PRSS3 2920/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 PRSS1 3/4885PRSS2 9/4885PRSS3 10/4885

“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.