SCHEMBL4228729

SCHEMBL4228729

Nc1ccccc1NC(=O)c1ccc(CN(CCCCCN2CCOCC2)C(=O)Nc2ccc3c(c2)OCCO3)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 5/20 0.46
LMNA P02545 5/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
HDAC1 Q13547 2/20 0.42

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
SCHEMBL2386861 0.99 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL4232494 0.97 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL4233331 0.94 HDAC1 (0.43) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL12250267 0.94 HSD17B10 (0.49) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL13569887 0.93 LMNA (0.43) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL13569365 0.92 LMNA (0.44) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL2386609 0.91 TSHR (0.43) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL1496911 0.90 USP2 (0.44) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL4219626 0.90 HSD17B10 (0.51) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL2386857 0.90 TSHR (0.47) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2

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-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
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 ALDH1A1 486/4885HSD17B10 1003/4885KDM4E 1895/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 ALDH1A1 1686/4885HSD17B10 625/4885KDM4E 347/4885

“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.