SCHEMBL6329259

SCHEMBL6329259

CCCCc1ccc(Nc2cccc(O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TSHR P16473 1/20 0.56
NLRP3 Q96P20 1/20 0.52
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 2/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 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
SCHEMBL19986529 0.94 PTGS2 (0.56) CYP3A4TSHRNLRP3ALDH1A1LMNA
SCHEMBL9274463 0.89 HPGD (0.50) ALDH1A1LMNAMEN1MAPTALOX12
SCHEMBL24570956 0.85 MAPT (0.55) TSHRALDH1A1LMNAMEN1MAPT
SCHEMBL6331942 0.83 CYP3A4 (0.63) CYP3A4TSHRNLRP3ALDH1A1MEN1
SCHEMBL1033939 0.83 NPSR1 (0.58) CYP3A4ALDH1A1LMNAMEN1MAPT
SCHEMBL1423027 0.82 UNG (0.54) CYP3A4ALDH1A1LMNAESR1ADRA2A
SCHEMBL2539187 0.81 TRPV1 (0.58) TSHRALDH1A1LMNAMEN1MAPT
SCHEMBL27541001 0.81 MAPT (0.56) ALDH1A1LMNAMEN1MAPTALOX12
SCHEMBL14127779 0.81 HPGD (0.58) ALDH1A1LMNAMEN1MAPTALOX12
SCHEMBL48879 0.81 HPGD (0.58) ALDH1A1LMNAMEN1MAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1794989-A N-(((((1,3-thiazol-2-yl)amino)carbonyl)phenyl)sulfonyl)phenylalanine derivatives and related compounds for the treatment of diabetes INST PHARMACEUTICAL DISCOVERY (US) 2006-06-28 CN claimed
JP-58057464-A None JP disclosed
CN-1794989-A N-(((((1,3-thiazol-2-yl)amino)carbonyl)phenyl)sulfonyl)phenylalanine derivatives and related compounds for the treatment of diabetes INST PHARMACEUTICAL DISCOVERY (US) 2006-06-28 CN disclosed
US-6919357-B2 α adrenergic agents MOLECULAR DESIGN INTERNATIONAL INC. (US) 2005-07-19 US disclosed
EP-1418907-A4 NOVEL ALPHA ADRENERGIC AGENTS MOLECULAR DESIGN INTERNAT INC (US) 2004-10-20 EP disclosed
EP-1418907-A1 NOVEL ALPHA ADRENERGIC AGENTS Molecular Design International Inc. (US) 2004-05-19 EP disclosed
US-20030092741-A1 Novel alpha adrenergic agents MOLECTULAR DESIGN INTERNATIONAL INC. 2003-05-15 US disclosed
WO-2003013515-A1 NOVEL ALPHA ADRENERGIC AGENTS MOLECTULAR DESIGN INTERNATIONAL INC. (US) 2003-02-20 WO disclosed
JP-S5857464-A NOVEL FLUORAN DERIVATIVE RICOH CO LTD 1983-04-05 JP 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-20030092741-A1 Novel alpha adrenergic agents ADRA1D, ADRB1, ADRA1B CYP3A4 1191/4885TSHR 3454/4885NLRP3 4807/4885

“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.