SCHEMBL836637

SCHEMBL836637

C#Cc1ccc(NC(=O)c2ccccc2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 6/20 0.67
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
MAPT P10636 3/20 0.61
THRB P10828 1/20 0.61
TYK2 P29597 1/20 0.60
FFAR1 O14842 1/20 0.58
LMNA P02545 1/20 0.57
GAA P10253 4/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 1/20 0.53
MAOB P27338 1/20 0.53
DHODH Q02127 1/20 0.52

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
SCHEMBL8819114 0.86 HPGD (0.70) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13164045 0.84 HPGD (0.68) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL836015 0.84 KCNK3 (0.63) HPGDSMN1; SMN2NPC1RAB9ATHRB
SCHEMBL13927147 0.83 ALDH1A1 (0.69) HPGDLMNAGAAALDH1A1MEN1
SCHEMBL12163156 0.83 LMNA (0.68) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29519361 0.82 HPGD (0.79) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3684485 0.82 HPGD (0.79) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21993 0.81 HPGD (1.00) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11781486 0.80 HPGD (0.77) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16088686 0.79 CYP2C9 (0.71) LMNAGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 WO 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 (4 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 HPGD 2861/4885SMN1; SMN2 4781/4885NPC1 4757/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 HPGD 2861/4885SMN1; SMN2 4781/4885NPC1 4757/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HPGD 2861/4885SMN1; SMN2 4781/4885NPC1 4757/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 HPGD 1471/4885SMN1; SMN2 4303/4885NPC1 4883/4885

“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.