SCHEMBL6501353

SCHEMBL6501353

COc1ccc(CNC(=O)c2n[nH]cc2NC(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
ALOX15 P16050 1/20 0.50
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HDAC1 Q13547 1/20 0.47
ATM Q13315 2/20 0.47
GSK3B P49841 1/20 0.47
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
EPHX2 P34913 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 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
SCHEMBL5270246 0.85 NPC1 (0.57) HPGDALDH1A1RAB9ANPC1MAPT
SCHEMBL6467556 0.83 ALDH1A1 (0.51) L3MBTL1HPGDALDH1A1NPC1MAPT
SCHEMBL6500669 0.83 L3MBTL1 (0.57) L3MBTL1ALOX15HPGDALDH1A1RAB9A
SCHEMBL8220270 0.82 GAA (0.45) L3MBTL1ALOX15HPGDALDH1A1RAB9A
SCHEMBL5271844 0.78 ALDH1A1 (0.52) L3MBTL1ALOX15HPGDALDH1A1MAPT
SCHEMBL6500450 0.77 HPGD (0.63) L3MBTL1ALOX15HPGDALDH1A1RAB9A
SCHEMBL27475382 0.75 GSK3B (0.55) HPGDALDH1A1RAB9ANPC1MAPT
SCHEMBL8366816 0.75 HDAC1 (0.58) ALDH1A1RAB9ANPC1HDAC1MEN1
SCHEMBL5274230 0.75 HPGD (0.49) HPGDALDH1A1HDAC1GSK3BKMT2A
SCHEMBL13816854 0.75 ALDH1A1 (0.50) HPGDALDH1A1MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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 (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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 L3MBTL1 2494/4885ALOX15 1656/4885HPGD 1845/4885

“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.