SCHEMBL1726529

SCHEMBL1726529

CNc1cc(NC(=O)O)c(Cl)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 3/20 0.36
HSD17B10 Q99714 3/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
RCE1 Q9Y256 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CD44 P16070 1/20 0.35
GPR35 Q9HC97 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 2/20 0.34

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
SCHEMBL27597105 0.79 CD44 (0.52) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3101753 0.79 CA12 (0.38) PRKCICA1CA2CA9CA12
SCHEMBL27615952 0.75 MEN1 (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL27597171 0.75 CD44 (0.52) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL932424 0.75 GAA (0.46) PRKCIKDM4EMEN1KMT2AALDH1A1
SCHEMBL31213265 0.75 GAA (0.46) PRKCIKDM4EMEN1KMT2AALDH1A1
SCHEMBL1725906 0.74 HCAR3 (0.50) MEN1KMT2ATDP1ALDH1A1GAA
SCHEMBL1725910 0.74 HCAR3 (0.50) MEN1KMT2ATDP1ALDH1A1GAA
SCHEMBL4668960 0.74 CXCR2 (0.38) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL2907046 0.74 HDAC1 (0.41) KDM4EMEN1KMT2AALDH1A1GAA

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-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PRKCI 3312/4885KDM4E 2615/4885MEN1 2565/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PRKCI 3312/4885KDM4E 2615/4885MEN1 2565/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PRKCI 3312/4885KDM4E 2615/4885MEN1 2565/4885

“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.