SCHEMBL940068

SCHEMBL940068

COc1cc(C)c(S(=O)(=O)N(C)Cc2nc3c(C(=O)O)cccc3n2C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
BDKRB1 P46663 12/20 0.41
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STING1 Q86WV6 1/20 0.39
PPARG P37231 1/20 0.38
FABP4 P15090 1/20 0.37
STAT5B P51692 1/20 0.37

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
SCHEMBL937873 0.92 PARP1 (0.41) PARP1BDKRB1TSHRUSP2SMN1; SMN2
SCHEMBL11947883 0.84 PARP1 (0.43) PARP1BDKRB1TSHRPPARGFABP4
SCHEMBL939680 0.80 CYP2D6 (0.46) BDKRB1TSHRUSP2SMN1; SMN2
SCHEMBL939382 0.77 SMN1; SMN2 (0.38) BDKRB1SMN1; SMN2STAT5B
SCHEMBL11947880 0.77 PARP1 (0.42) PARP1BDKRB1TSHR
SCHEMBL941264 0.75 KDM4C (0.41) BDKRB1TSHRUSP2SMN1; SMN2STAT5B
SCHEMBL937871 0.74 PARP1 (0.40) PARP1TSHRSTING1PPARG
SCHEMBL938282 0.73 DHODH (0.44) BDKRB1SMN1; SMN2FABP4
SCHEMBL11947881 0.71 PARP1 (0.44) PARP1TSHRSMN1; SMN2
SCHEMBL940269 0.71 SMN1; SMN2 (0.38) SMN1; SMN2

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 3 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-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 PARP1 1156/4885BDKRB1 1/4885TSHR 1370/4885

“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.