SCHEMBL6504429

SCHEMBL6504429

CCCOc1ccc(-n2cc(NC(N)=O)c(C(=O)NCc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.48
HDAC1 Q13547 4/20 0.47
RXFP1 Q9HBX9 2/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 3/20 0.46
ABCB1 P08183 1/20 0.45
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6501019 0.93 RXFP1 (0.54) KMT2AMEN1HDAC1RXFP1POLB
SCHEMBL6510133 0.88 ABCB1 (0.44) KMT2AMEN1HDAC1RXFP1POLB
SCHEMBL6504903 0.85 KMT2A (0.49) KMT2AMEN1HDAC1ABCB1ALOX15
SCHEMBL6498598 0.85 KMT2A (0.53) KMT2AMEN1HDAC1RXFP1POLB
SCHEMBL6504732 0.84 HDAC1 (0.48) KMT2AMEN1HDAC1POLBTP53
SCHEMBL6506767 0.83 ITK (0.48) HDAC1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL6500262 0.83 KMT2A (0.48) KMT2AMEN1HDAC1RXFP1POLB
SCHEMBL6506101 0.81 KMT2A (0.52) KMT2AMEN1HDAC1POLBTP53
SCHEMBL6504692 0.81 HDAC1 (0.47) KMT2AMEN1HDAC1ABCB1ALOX15
SCHEMBL6470160 0.77 HDAC1 (0.43) KMT2AMEN1HDAC1POLBTP53

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

“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.