SCHEMBL6470160

SCHEMBL6470160

COc1ccc(CNC(=O)c2ccc(-c3ccc(-n4cc(NC(N)=O)c(C(N)=O)n4)cc3)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PARP1 P09874 2/20 0.41
PDE10A Q9Y233 1/20 0.41
TP53 P04637 2/20 0.40
ABCB1 P08183 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
KDM1A O60341 1/20 0.40
CHEK1 O14757 1/20 0.40
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6467560 0.91 ROCK1 (0.46) KMT2AMAPTRAB9ATP53
SCHEMBL6477607 0.91 HDAC1 (0.42) HDAC1KMT2AMEN1MAPTPARP1
SCHEMBL6467657 0.90 KMT2A (0.44) KMT2APARP1MAPK1
SCHEMBL6504428 0.86 PDE10A (0.44) KMT2AMEN1MAPTTHRBPDE10A
SCHEMBL6470445 0.85 CDC7 (0.46) HDAC1KMT2AMAPTPDE10ATP53
SCHEMBL6470232 0.84 ALOX5AP (0.41) MAPTNPC1RAB9APARP1TP53
SCHEMBL6467963 0.84 LMNA (0.42) KMT2AMEN1MAPTPARP1PDE10A
SCHEMBL6504083 0.81 AXL (0.41) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6467616 0.81 KIF11 (0.43) MAPTNPC1RAB9APARP1TP53
SCHEMBL6504732 0.80 HDAC1 (0.48) HDAC1KMT2AMEN1MAPTTP53

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 2 patents. 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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO 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 HDAC1 462/4885KMT2A 3219/4885MEN1 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.