SCHEMBL6498191

SCHEMBL6498191

NC(=O)Nc1cn(-c2ccc(-c3ccc(C(=O)OCc4ccc(F)cc4)c(F)c3)cc2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.37
MGLL Q99685 1/20 0.37
PARP1 P09874 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ITK Q08881 1/20 0.35
ALOX5AP P20292 3/20 0.35
ALOX5 P09917 2/20 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
SCHEMBL6477607 0.85 HDAC1 (0.42) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL6504083 0.84 AXL (0.41) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL6467616 0.84 KIF11 (0.43) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL6469567 0.83 PARP1 (0.38) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL6504415 0.82 KDM4E (0.50) KDM4ELMNARAB9ANPC1MEN1
SCHEMBL6507842 0.80 IDO1 (0.45) KDM4ELMNARAB9ANPC1MEN1
SCHEMBL6470232 0.80 ALOX5AP (0.41) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL6467657 0.79 KMT2A (0.44) KMT2AALDH1A1PARP1
SCHEMBL6467527 0.78 KDM4E (0.47) KDM4ELMNARAB9ANPC1MEN1
SCHEMBL6505399 0.78 PARP1 (0.38) KDM4ELMNAMEN1KMT2AALDH1A1

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 2424/4885LMNA 1826/4885RAB9A 2534/4885

“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.