SCHEMBL7901273

SCHEMBL7901273

CCc1cccc(C(=O)N2CCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
TP53 P04637 3/20 0.65
RECQL P46063 1/20 0.65
HPGD P15428 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.64
LMNA P02545 4/20 0.61
HTT P42858 2/20 0.61
GAA P10253 1/20 0.56
TSHR P16473 3/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL10174738 0.98 KMT2A (0.66) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL4486004 0.98 KMT2A (0.66) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL4480468 0.97 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL14234095 0.93 ALDH1A1 (0.62) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL13438861 0.88 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL13462850 0.86 HPGD (0.53) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL7901271 0.86 RAB9A (0.67) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL12333479 0.86 MEN1 (0.61) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL13462844 0.86 PDE3B (0.53) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL15986678 0.86 SIGMAR1 (0.59) SMN1; SMN2NPC1RAB9ATP53RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019154366-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏奥赛康药业有限公司 2019-08-15 WO disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-9776969-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2017-10-03 US disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY (RU) 2016-07-14 US disclosed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
US-7429584-B2 Furo[2.3-b]pyridine derivatives for the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-30 US disclosed
EP-1534715-B1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2007-08-15 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-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 SMN1; SMN2 1252/4885NPC1 631/4885RAB9A 1186/4885
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES BRAF, CNKSR1, RAF1 SMN1; SMN2 3750/4885NPC1 2017/4885RAB9A 662/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 SMN1; SMN2 3805/4885NPC1 2528/4885RAB9A 2054/4885

“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.