SCHEMBL6506101

SCHEMBL6506101

COc1ccc(CNC(=O)c2nn(-c3cccc(O)c3)cc2NC(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.51
HDAC1 Q13547 4/20 0.48
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
ABCB1 P08183 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER4 P35408 1/20 0.43
POLB P06746 2/20 0.43
PSMD14 O00487 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL6498598 0.87 KMT2A (0.53) KMT2AMEN1HDAC1TP53ABCB1
SCHEMBL6500262 0.84 KMT2A (0.48) KMT2AMEN1HDAC1ABCB1KDM4E
SCHEMBL6504732 0.84 HDAC1 (0.48) KMT2AMEN1HDAC1TP53RECQL
SCHEMBL6501019 0.83 RXFP1 (0.54) KMT2AMEN1HDAC1TP53ABCB1
SCHEMBL6504429 0.81 KMT2A (0.49) KMT2AMEN1HDAC1TP53ABCB1
SCHEMBL6504903 0.81 KMT2A (0.49) KMT2AMEN1HDAC1RECQLABCB1
SCHEMBL6504692 0.81 HDAC1 (0.47) KMT2AMEN1HDAC1ABCB1ALOX15
SCHEMBL6510133 0.80 ABCB1 (0.44) KMT2AMEN1HDAC1TP53ABCB1
SCHEMBL6505525 0.78 ITK (0.43) KMT2AMEN1HDAC1ABCB1KDM4E
SCHEMBL6505234 0.77 ITK (0.49) KMT2AMEN1KDM4EL3MBTL1POLB

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.