SCHEMBL6504732

SCHEMBL6504732

COc1ccc(CNC(=O)c2nn(-c3ccc(C)c(F)c3)cc2NC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ABCB1 P08183 1/20 0.44
POLB P06746 2/20 0.43
RCE1 Q9Y256 1/20 0.43
PSMD14 O00487 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL6498598 0.87 KMT2A (0.53) HDAC1KMT2AMEN1ABCB1POLB
SCHEMBL6500262 0.85 KMT2A (0.48) HDAC1KMT2AMEN1ABCB1POLB
SCHEMBL6504429 0.84 KMT2A (0.49) HDAC1KMT2AMEN1ABCB1POLB
SCHEMBL6506101 0.84 KMT2A (0.52) HDAC1KMT2AMEN1ABCB1POLB
SCHEMBL6504903 0.84 KMT2A (0.49) HDAC1KMT2AMEN1ABCB1RCE1
SCHEMBL6501019 0.83 RXFP1 (0.54) HDAC1KMT2AMEN1ABCB1POLB
SCHEMBL6470160 0.80 HDAC1 (0.43) HDAC1KMT2AMEN1ABCB1POLB
SCHEMBL6510133 0.80 ABCB1 (0.44) HDAC1KMT2AMEN1ABCB1POLB
SCHEMBL6500141 0.79 ITK (0.44) POLBMAPTALDH1A1TP53
SCHEMBL6504692 0.78 HDAC1 (0.47) HDAC1KMT2AMEN1ABCB1MAPT

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 HDAC1 462/4885KMT2A 3219/4885MEN1 4599/4885

“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.