SCHEMBL6504903

SCHEMBL6504903

COc1ccc(CNC(=O)c2nn(-c3ccc(OC(F)(F)F)cc3)cc2NC(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.48
HDAC1 Q13547 3/20 0.47
PTGER4 P35408 1/20 0.45
ABCB1 P08183 1/20 0.45
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
KLKB1 P03952 1/20 0.44
RECQL P46063 1/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDE2A O00408 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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 0.87 RXFP1 (0.54) KMT2AMEN1HDAC1ABCB1HPGD
SCHEMBL6504429 0.85 KMT2A (0.49) KMT2AMEN1HDAC1ABCB1ALOX15
SCHEMBL6498598 0.85 KMT2A (0.53) KMT2AMEN1HDAC1ABCB1ALOX15
SCHEMBL6504732 0.84 HDAC1 (0.48) KMT2AMEN1HDAC1ABCB1RECQL
SCHEMBL6506101 0.81 KMT2A (0.52) KMT2AMEN1HDAC1PTGER4ABCB1
SCHEMBL6500601 0.81 ITK (0.47) EPHX2ALOX15L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6500262 0.81 KMT2A (0.48) KMT2AMEN1HDAC1ABCB1ALOX15
SCHEMBL6504692 0.79 HDAC1 (0.47) KMT2AMEN1HDAC1PTGER4ABCB1
SCHEMBL6470160 0.78 HDAC1 (0.43) KMT2AMEN1HDAC1ABCB1
Trifluoroacetic Acid SCHEMBL6466204 0.78 ITK (0.47) KMT2AMEN1L3MBTL1ALDH1A1

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.