SCHEMBL17987358

SCHEMBL17987358

COc1ccc(Cc2onc3c2C(=O)OC(C)(C)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ GLA P06280 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ EDNRA P25101 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ EDNRB P24530 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL17987316 0.84 RAB9A (0.45) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL17987359 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1LTA4H
SCHEMBL17963586 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL20629830 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL20630113 0.78 MEN1 (0.38) MEN1KMT2AALDH1A1HTTLTA4H
SCHEMBL20547143 0.73 CYP11B2 (0.47) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL17963610 0.73 CYP11B2 (0.48) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL20629820 0.68 ALDH1A1 (0.65) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL17987540 0.68 KMT2A (0.37) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL17963587 0.67 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1

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-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 — — EP disclosed
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 — — EP disclosed
US-10131642-B1 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-20 — — US disclosed
US-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-01 — — US disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — WO 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 (2 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-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 MEN1 610/4885KMT2A 3968/4885ALDH1A1 250/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 MEN1 610/4885KMT2A 3968/4885ALDH1A1 250/4885

“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.

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