SCHEMBL17686148

SCHEMBL17686148

CSCOc1cncc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL16196716 0.82 CHRNB2 (0.43) CHRNB2CHRNA4USP2ALDH1A1TP53
SCHEMBL188568 0.80 CHRNB2 (0.49) CHRNB2CHRNA4
SCHEMBL19668758 0.78 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL188863 0.77 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1
SCHEMBL12179763 0.77 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL26923027 0.76 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL7102411 0.76 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL428322 0.76 CHRNB2 (0.49) CHRNB2CHRNA4ALDH1A1
SCHEMBL7924171 0.76 MAPT (0.47) CHRNB2CHRNA4
SCHEMBL30174297 0.76 CHRNB2 (0.49) CHRNB2CHRNA4ALDH1A1

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
CN-107108587-B Aldosterone synthase inhibitors 勃林格殷格翰国际有限公司 2020-05-22 CN disclosed
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
EP-3207039-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-08-23 EP disclosed
WO-2016061161-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 WO disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 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-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, HSD11B1 CHRNB2 3601/4885CHRNA4 4219/4885USP2 4275/4885

“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.