SCHEMBL1124289

SCHEMBL1124289

COc1ccccc1-c1ccc(NC(=O)c2cscc2C(=O)O)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.71
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
PNLIP P16233 1/20 0.48
GRM4 Q14833 3/20 0.48
CLCN2 P51788 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GRM5 P41594 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL1124079 0.83 DHODH (1.00) DHODHMAPTTP53NPC1RAB9A
SCHEMBL252626 0.79 DHODH (0.67) DHODHGRM4
SCHEMBL4387203 0.76 DHODH (0.59) DHODHMAPTTP53NPC1RAB9A
SCHEMBL4386279 0.76 DHODH (0.59) DHODHMAPTTP53NPC1RAB9A
SCHEMBL4254938 0.72 KCNK3 (0.71) MAPTTP53NPC1RAB9AHPGD
SCHEMBL15902456 0.71 DHODH (0.81) DHODHMAPTTP53NPC1RAB9A
SCHEMBL11468587 0.71 ALDH1A1 (0.68) MAPTTP53NPC1RAB9AHPGD
SCHEMBL12010969 0.70 KMT2A (0.78) MAPTTP53NPC1RAB9AHPGD
SCHEMBL9044381 0.70 DHODH (0.69) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL195970 0.70 SMN1; SMN2 (0.78) MAPTTP53NPC1RAB9AHPGD

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
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP disclosed
EP-2283898-A1 Aromatic compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2011-02-16 EP disclosed
US-7365094-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-04-29 US disclosed
US-20070224672-A1 Method of Identifying Inhibitors of DHODH LEBAN JOHANN 2007-09-27 US disclosed
US-7247736-B2 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-07-24 US disclosed
US-20070027193-A1 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-02-01 US disclosed
EP-1581478-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2005-10-05 EP disclosed
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2004-09-30 US disclosed
WO-2004056747-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2004-07-08 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 (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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885MAPT 3332/4885TP53 2020/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885MAPT 110/4885TP53 3561/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA DHODH 3023/4885MAPT 4614/4885TP53 2176/4885

“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.