SCHEMBL938412

SCHEMBL938412

COC(=O)c1cccc2nc(CN(C)S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.38
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
SDHB P21912 1/20 0.35
PTGES O14684 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
SCHEMBL938603 0.90 KMT2A (0.41) BDKRB1MMP9MMP13KDM4EALDH1A1
SCHEMBL939707 0.86 PRSS1 (0.41) KDM4EHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL939201 0.81 CNR2 (0.38) BDKRB1MMP13KDM4EHSD17B10ALDH1A1
SCHEMBL938746 0.81 KDM4E (0.52) BDKRB1KDM4EALDH1A1MAPK1TDP1
SCHEMBL11947875 0.79 BDKRB1 (0.40) BDKRB1KDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL937980 0.78 BDKRB1 (0.38) BDKRB1KDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL937728 0.77 KDM4E (0.35) KDM4EHSD17B10ABL1SRCALDH1A1
SCHEMBL11947921 0.77 RBP4 (0.35) BDKRB1ALDH1A1KMT2ATSHRUSP2
SCHEMBL938884 0.76 CYP3A4 (0.42) ALDH1A1TSHRMAPK1USP2
SCHEMBL938966 0.75 PTGS2 (0.38) KDM4EHSD17B10ALDH1A1KMT2ATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 BDKRB1 1/4885MMP9 2485/4885MMP13 3184/4885

“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.