SCHEMBL430538

SCHEMBL430538

CCN(CC)c1cc(C(=O)Nc2ccc3[nH]c(C)c(C)c3c2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.43
GBA1 P04062 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TERT O14746 1/20 0.38
HTR2A P28223 2/20 0.38
NR3C1 P04150 1/20 0.38
LRRK2 Q5S007 1/20 0.38
HPGD P15428 2/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL427140 0.92 GRM4 (0.45) GRM4MAPTTP53KDM4EALDH1A1
SCHEMBL13759370 0.86 GRM4 (0.43) GRM4MAPTTP53KDM4EALDH1A1
SCHEMBL460359 0.85 AURKA (0.42) GRM4MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL11926278 0.84 GBA1 (0.47) GBA1MAPTTP53KDM4EALDH1A1
SCHEMBL430839 0.84 GRM4 (0.42) GRM4MAPTTP53KDM4EALDH1A1
SCHEMBL425505 0.82 GRM4 (0.45) GRM4GBA1MAPTTP53KDM4E
SCHEMBL431018 0.81 GRM4 (0.46) GRM4MAPTTP53KDM4EALDH1A1
SCHEMBL426551 0.81 GRM4 (0.46) GRM4MAPTTP53KDM4EALDH1A1
SCHEMBL13759336 0.81 MAPT (0.42) GRM4GBA1MAPTTP53KDM4E
SCHEMBL13759272 0.80 GRM4 (0.39) GRM4MAPTTP53KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 WO disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
WO-2007050980-A2 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-03 WO disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US 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 (5 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 GRM4 4673/4885GBA1 2127/4885MAPT 238/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 GRM4 2087/4885GBA1 1510/4885MAPT 4316/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 GRM4 3397/4885GBA1 1780/4885MAPT 2813/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 GRM4 4294/4885GBA1 3704/4885MAPT 2815/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 GRM4 2087/4885GBA1 1510/4885MAPT 4316/4885

“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.