SCHEMBL3219355

SCHEMBL3219355

Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MCHR1 Q99705 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ROCK2 O75116 2/20 0.37
NAMPT P43490 1/20 0.36
ROCK1 Q13464 1/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1B Q00975 2/20 0.36

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
SCHEMBL3215193 0.92 ROCK2 (0.43) SMN1; SMN2HDAC1HDAC3HDAC2HDAC10
SCHEMBL3235242 0.91 ROCK2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1HDAC1
SCHEMBL3230782 0.87 HDAC1 (0.39) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL4224463 0.87 HDAC1 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL3232699 0.86 NPC1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1HDAC1
SCHEMBL3224939 0.85 MEN1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL13569986 0.84 ROCK2 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1HDAC1
SCHEMBL3233986 0.80 HDAC1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL2479648 0.79 HDAC1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL3832767 0.79 HDAC1 (0.54) ALDH1A1HDAC1HDAC3HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP 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-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE HCAR1, CBR1, UACA SMN1; SMN2 4376/4885MEN1 4788/4885KMT2A 2828/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 SMN1; SMN2 4844/4885MEN1 3719/4885KMT2A 305/4885

“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.