SCHEMBL6504773

SCHEMBL6504773

NC(=O)COc1ccc(F)cc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNN4 O15554 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ITK Q08881 1/20 0.37
SCN9A Q15858 2/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
GRM2 Q14416 1/20 0.35
LRRK2 Q5S007 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL6478556 0.94 PTGDR2 (0.45) KDM4EHTTMEN1ALDH1A1KMT2A
SCHEMBL6502148 0.91 RAB9A (0.40) KDM4EHTTMEN1ALDH1A1KMT2A
SCHEMBL6465688 0.89 RAB9A (0.39) KDM4EHTTMEN1ALDH1A1KMT2A
SCHEMBL6470117 0.88 ALOX5AP (0.39) KDM4EHTTMEN1ALDH1A1KMT2A
SCHEMBL6499913 0.87 LRRK2 (0.46) KDM4EMEN1ALDH1A1KMT2AITK
SCHEMBL6470068 0.87 FKBP1A (0.45) HTTALDH1A1SCN9AMAPTHPGD
SCHEMBL6501329 0.85 KCNN4 (0.38) KCNN4ITKSCN9AMAPTRAB9A
SCHEMBL6505508 0.84 IRAK4 (0.37) KDM4EHTTMEN1ALDH1A1KMT2A
SCHEMBL6504376 0.83 ITK (0.38) ALDH1A1KCNN4PTGDR2ITKSCN9A
SCHEMBL6467401 0.83 KDM4E (0.41) KDM4EHTTMEN1ALDH1A1KMT2A

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 KDM4E 2424/4885HTT 4097/4885MEN1 4599/4885

“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.