SCHEMBL4294474

SCHEMBL4294474

Cc1nc(-c2cccc(F)c2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
NPC1 O15118 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
PPARA Q07869 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SCD O00767 9/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CDC7 O00311 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
DBF4 Q9UBU7 1/20 0.53

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
SCHEMBL12464771 0.88 HPGD (0.65) HPGDNPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL12464767 0.82 HPGD (0.67) HPGDNPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL3436646 0.81 SMN1; SMN2 (0.70) HPGDNPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL3592271 0.80 KDM4E (0.69) HPGDNPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5640750 0.79 PPARA (0.50) PPARASCDCDC7CCNE1CDK2
SCHEMBL3041781 0.79 SCD (0.55) MAPTSCD
SCHEMBL17704560 0.79 PPARA (0.66) HPGDNPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL13541868 0.78 PPARA (0.69) HPGDNPC1MAPTPPARASCD
SCHEMBL13082534 0.78 CHRM4 (0.62) NPC1ALDH1A1SCDKMT2A
SCHEMBL15655703 0.78 TRPM8 (0.75) HPGDSMN1; SMN2ALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
WO-2009140364-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 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 (1 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-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, HPGD, GMDS HPGD 2/4885NPC1 4451/4885SMN1; SMN2 3401/4885

“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.