SCHEMBL3589816

SCHEMBL3589816

Cc1sc(-c2ccccc2)nc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.49
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HRH3 Q9Y5N1 3/20 0.45
ALOX5 P09917 1/20 0.45
APEX1 P27695 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL3001838 0.84 RAB9A (0.51) SMN1; SMN2HRH3APEX1ALDH1A1NPC1
SCHEMBL12040235 0.80 CYP3A4 (0.53) SMN1; SMN2ALOX5ALDH1A1HPGDNPC1
SCHEMBL427731 0.79 SMN1; SMN2 (0.59) RARARARBRARGSMN1; SMN2HRH3
SCHEMBL6473576 0.78 TNF (0.51) APEX1ALDH1A1HPGDNPSR1NPC1
SCHEMBL2096231 0.78 RARA (0.73) RARARARBRARGSMN1; SMN2ALOX5
SCHEMBL13590002 0.78 RARA (0.50) RARARARBRARGSMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL3265116 0.78 SMN1; SMN2 (0.58) RARARARBRARGSMN1; SMN2HRH3
SCHEMBL11456645 0.77 APEX1 (0.72) RARARARBRARGSMN1; SMN2APEX1
SCHEMBL2760388 0.77 APEX1 (0.72) RARARARBRARGSMN1; SMN2APEX1
SCHEMBL5153710 0.76 ALDH1A1 (0.49) SMN1; SMN2ALOX5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 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 (2 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA RARA 1886/4885RARB 2341/4885RARG 2319/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS RARA 941/4885RARB 904/4885RARG 1120/4885

“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.