SCHEMBL6501019

SCHEMBL6501019

CCOc1ccc(-n2cc(NC(N)=O)c(C(=O)NCc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.54
POLB P06746 2/20 0.54
TP53 P04637 2/20 0.53
HDAC1 Q13547 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.50
MAPT P10636 1/20 0.49
AURKA O14965 1/20 0.48
DGAT1 O75907 1/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ABCB1 P08183 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6504429 0.93 KMT2A (0.49) RXFP1POLBTP53HDAC1KMT2A
SCHEMBL6504903 0.87 KMT2A (0.49) HDAC1KMT2AMEN1KDM4EABCB1
SCHEMBL6498598 0.86 KMT2A (0.53) RXFP1POLBTP53HDAC1KMT2A
SCHEMBL6500262 0.84 KMT2A (0.48) RXFP1POLBHDAC1KMT2AMEN1
SCHEMBL6504732 0.83 HDAC1 (0.48) POLBTP53HDAC1KMT2AMEN1
SCHEMBL6506101 0.83 KMT2A (0.52) POLBTP53HDAC1KMT2AMEN1
SCHEMBL6510133 0.83 ABCB1 (0.44) RXFP1POLBTP53HDAC1KMT2A
SCHEMBL6504692 0.83 HDAC1 (0.47) HDAC1KMT2AMEN1MAPTABCB1
SCHEMBL6470160 0.78 HDAC1 (0.43) POLBTP53HDAC1KMT2AMEN1
SCHEMBL6505525 0.76 ITK (0.43) POLBHDAC1KMT2AMEN1KDM4E

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 RXFP1 843/4885POLB 2941/4885TP53 711/4885

“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.