SCHEMBL1787725

SCHEMBL1787725

CC(=O)Nc1nccc(CO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.43
PRNP P04156 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK4 P11802 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK14 Q16539 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDC7 O00311 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.39

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
SCHEMBL1786698 0.85 KMT2A (0.47) KDM4EPOLBNPC1RAB9ARXFP1
SCHEMBL14340874 0.83 NPC1 (0.41) KDM4EPOLBNPC1RAB9ARXFP1
SCHEMBL15263437 0.79 ATR (0.44)
SCHEMBL6795355 0.79 AOC3 (0.50) NPC1RAB9ARXFP1HDAC1HDAC6
SCHEMBL23554880 0.78 KDM4E (0.50) KDM4EPOLBMEN1GAAKMT2A
SCHEMBL1787663 0.78 HDAC1 (0.40) CDK2MAPK14HDAC1HDAC8HDAC6
SCHEMBL4543263 0.77 CYP1A2 (0.56) KDM4EPOLBNPC1RAB9ARXFP1
SCHEMBL5629171 0.77 KDM4E (0.46) KDM4EPOLBNPC1RAB9ARXFP1
SCHEMBL15305786 0.77 KDM4E (0.46) KDM4EPOLBNPC1RAB9ARXFP1
SCHEMBL14298343 0.77 L3MBTL1 (0.54) KDM4EPOLBNPC1RAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 KDM4E 4274/4885POLB 2308/4885NPC1 1451/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDM4E 3990/4885POLB 2122/4885NPC1 1069/4885

“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.