SCHEMBL17465809

SCHEMBL17465809

COC(=O)c1c(CCO)ncn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HSP90B1 P14625 1/20 0.43
MAPK8 P45983 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
IDO1 P14902 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP13 P45452 1/20 0.41
MMP2 P08253 1/20 0.40
HTT P42858 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4150352 0.81 PKM (0.62) GAAPKMTSHRCYP11B1CYP11B2
SCHEMBL6970304 0.79 CYP11B2 (0.46) TSHRCYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL20187453 0.78 CYP11B2 (0.47) GAACYP11B1CYP11B2HSP90B1ALDH1A1
SCHEMBL17465811 0.78 GAA (0.51) GAAPKMTSHRCYP11B1CYP11B2
SCHEMBL4150358 0.77 PKM (0.74) GAAPKMTSHRCYP11B1CYP11B2
SCHEMBL17456304 0.75 PKM (0.51) GAAPKMTSHRCYP11B1CYP11B2
SCHEMBL17456301 0.75 PKM (0.51) GAAPKMTSHRCYP11B1CYP11B2
SCHEMBL6981816 0.71 OPRD1 (0.48) GAAALDH1A1HTT
SCHEMBL17456331 0.71 SMN1; SMN2 (0.48) GAAPKMTSHRSMN1; SMN2ALDH1A1
SCHEMBL8830053 0.70 CYP11B1 (0.47) GAAPKMTSHRCYP11B1CYP11B2

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
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 WO disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 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-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 GAA 1516/4885PKM 740/4885TSHR 1504/4885

“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.