SCHEMBL6505525

SCHEMBL6505525

COc1ccc(CNC(=O)c2nn(-c3cccc4c3sc3ccccc34)cc2NC(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.43
HDAC1 Q13547 2/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB1 P08183 1/20 0.42
PTGER4 P35408 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PSMD14 O00487 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDR P35968 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
SCHEMBL6499411 0.81 ITK (0.52) ITKKDM4EGAA
SCHEMBL6506101 0.78 KMT2A (0.52) HDAC1ALOX15L3MBTL1ABCB1PTGER4
SCHEMBL6504692 0.78 HDAC1 (0.47) HDAC1ALOX15L3MBTL1ABCB1PTGER4
SCHEMBL6498598 0.76 KMT2A (0.53) HDAC1ALOX15L3MBTL1ABCB1KMT2A
SCHEMBL6501019 0.76 RXFP1 (0.54) HDAC1ABCB1KMT2AMEN1POLB
SCHEMBL6504429 0.74 KMT2A (0.49) HDAC1ALOX15L3MBTL1ABCB1KMT2A
SCHEMBL6504903 0.74 KMT2A (0.49) HDAC1ALOX15L3MBTL1ABCB1PTGER4
SCHEMBL6500262 0.74 KMT2A (0.48) HDAC1ALOX15L3MBTL1ABCB1KMT2A
SCHEMBL6504732 0.73 HDAC1 (0.48) HDAC1ALOX15L3MBTL1ABCB1KMT2A
SCHEMBL6510133 0.69 ABCB1 (0.44) HDAC1ALOX15L3MBTL1ABCB1KMT2A

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 ITK 4236/4885HDAC1 462/4885ALOX15 1656/4885

“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.