SCHEMBL940181

SCHEMBL940181

COC(=O)Cc1cccc2nc(CN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.39
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
USP2 O75604 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
SCHEMBL939595 0.91 ALDH1A1 (0.38) BDKRB1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL939297 0.88 ALDH1A1 (0.40) BDKRB1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL938892 0.86 ALDH1A1 (0.38) BDKRB1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL937980 0.85 BDKRB1 (0.38) BDKRB1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL941264 0.83 KDM4C (0.41) BDKRB1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL940180 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL11888787 0.83 BDKRB1 (0.38) BDKRB1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL937657 0.79 CYP2D6 (0.44) BDKRB1ALDH1A1SMN1; SMN2TSHR
SCHEMBL940325 0.78 BDKRB1 (0.39) BDKRB1ALDH1A1MAPTKDM4ETSHR
SCHEMBL11947899 0.78 KDM5B (0.38) BDKRB1ALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 1/4885ALDH1A1 1533/4885SMN1; SMN2 2944/4885

“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.