SCHEMBL2386609

SCHEMBL2386609

CN1CCN(CCCN(Cc2ccc(C(=O)Nc3ccccc3N)nc2)C(=O)Nc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HDAC1 Q13547 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HDAC2 Q92769 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
HDAC3 O15379 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 4/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ROCK2 O75116 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL4217909 0.96 ALDH1A1 (0.43) TSHRALDH1A1HDAC1KDM4EHPGD
SCHEMBL4232494 0.94 ALDH1A1 (0.49) TSHRUSP2ALDH1A1HSD17B10KDM4E
SCHEMBL4224150 0.92 KDM4E (0.45) TSHRUSP2ALDH1A1HDAC1HSD17B10
SCHEMBL4233331 0.92 HDAC1 (0.43) TSHRUSP2ALDH1A1HDAC1HSD17B10
SCHEMBL2386861 0.91 ALDH1A1 (0.47) TSHRUSP2ALDH1A1HDAC1HSD17B10
SCHEMBL1496966 0.91 TSHR (0.41) TSHRUSP2ALDH1A1HSD17B10KDM4E
SCHEMBL4228729 0.91 ALDH1A1 (0.47) TSHRUSP2ALDH1A1HDAC1HSD17B10
SCHEMBL12250267 0.90 HSD17B10 (0.49) TSHRUSP2ALDH1A1HDAC1HSD17B10
SCHEMBL4393216 0.90 HDAC1 (0.52) TSHRALDH1A1HDAC1HSD17B10KDM4E
SCHEMBL3232015 0.88 TSHR (0.43) TSHRUSP2ALDH1A1HSD17B10KDM4E

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 14 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 claimed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US claimed
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 claimed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP claimed
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-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-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-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 TSHR 167/4885USP2 1702/4885ALDH1A1 486/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 TSHR 4241/4885USP2 3063/4885ALDH1A1 1686/4885

“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.