SCHEMBL6468673

SCHEMBL6468673

CCc1ccc[c]c1SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.39
S100A4 P26447 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
PTPRC P08575 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
CTSB P07858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PRMT1 Q99873 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL6469545 0.87 POLB (0.39) TP53POLBKMT2AL3MBTL1RAB9A
SCHEMBL18905 0.82 POLB (0.55) POLBKMT2AL3MBTL1RAB9AS100A4
SCHEMBL7260535 0.81 POLB (0.39) POLBKMT2ARAB9AHSD17B10LMNA
SCHEMBL1707607 0.79 RAB9A (0.41) POLBKMT2AL3MBTL1RAB9AS100A4
SCHEMBL2196745 0.78 ALDH1A1 (0.35) TP53POLBKMT2AL3MBTL1RAB9A
SCHEMBL18230395 0.76 POLB (0.56) POLBRAB9AHSD17B10CYP1A2CYP3A4
SCHEMBL6638095 0.74 POLB (0.59) TP53POLBKMT2AL3MBTL1RAB9A
SCHEMBL3939216 0.74 GABRA1 (0.37) POLBCYP2D6ALDH1A1
SCHEMBL2775438 0.72 POLB (0.52) TP53POLBKMT2AL3MBTL1RAB9A
SCHEMBL18230260 0.72 POLB (0.36) POLBL3MBTL1RAB9AHSD17B10PTPRC

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 4 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 claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
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 TP53 711/4885POLB 2941/4885KMT2A 3219/4885

“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.