SCHEMBL826359

SCHEMBL826359

CN(C)C(=O)c1cc(Cl)c[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
ALPL P05186 2/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
DYRK1A Q13627 1/20 0.40
DAO P14920 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
NOTUM Q6P988 1/20 0.37
HTT P42858 1/20 0.36
NUDT1 P36639 1/20 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
SCHEMBL2148876 0.77
SCHEMBL31666875 0.76 CREBBP (0.56) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL600362 0.74
SCHEMBL9792751 0.73 KMT2A (0.62) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL276048 0.72
SCHEMBL24112863 0.72 CREBBP (0.61) NPC1RAB9AALDH1A1KMT2ADYRK1A
SCHEMBL276286 0.69 ALDH1A1 (0.60) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL13720481 0.68 GRN (0.40) NPC1ALDH1A1KMT2ADYRK1ADAO
SCHEMBL24740414 0.68 GRN (0.56) NPC1ALDH1A1SMN1; SMN2ALPLMAPK1
SCHEMBL23952547 0.68 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KMT2ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS NPC1 876/4885RAB9A 1373/4885ALDH1A1 3867/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS NPC1 743/4885RAB9A 1020/4885ALDH1A1 3952/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS NPC1 876/4885RAB9A 1373/4885ALDH1A1 3867/4885

“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.