SCHEMBL6500669

SCHEMBL6500669

COc1ccc(CNC(=O)c2n[nH]cc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.57
ALOX15 P16050 1/20 0.57
HPGD P15428 4/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 1/20 0.51
HDAC1 Q13547 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
ATM Q13315 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6501353 0.83 L3MBTL1 (0.50) L3MBTL1ALOX15HPGDPOLBMAPT
SCHEMBL12961921 0.82 POLB (0.45) L3MBTL1HPGDPOLBTSHRALDH1A1
SCHEMBL6500450 0.81 HPGD (0.63) L3MBTL1ALOX15HPGDPOLBMAPT
Hydrochloric Acid SCHEMBL2267196 0.81 ALDH1A1 (0.54) HPGDPOLBMAPTTSHRALDH1A1
SCHEMBL27475382 0.79 GSK3B (0.55) HPGDMAPTALDH1A1RAB9ANPC1
SCHEMBL7655624 0.77 RAB9A (0.61) L3MBTL1ALOX15HPGDPOLBMAPT
SCHEMBL12245094 0.75 CCNE2 (0.40) ALOX15HPGDTSHRHDAC1ALDH1A1
SCHEMBL5270246 0.75 NPC1 (0.57) HPGDMAPTHDAC1ALDH1A1RAB9A
SCHEMBL8220270 0.75 GAA (0.45) L3MBTL1ALOX15HPGDMAPTTSHR
SCHEMBL12629900 0.74 ALOX15 (0.55) L3MBTL1ALOX15HPGDMAPTHDAC1

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.