SCHEMBL17987308

SCHEMBL17987308

CN(CCO)C(=O)c1ccc(Cc2onc3c2C(=O)OC(C)(C)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.44
▸ HDAC4 P56524 5/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ USP1 O94782 2/20 0.34
▸ PDK2 Q15119 3/20 0.33
▸ RHEB Q15382 1/20 0.30
▸ MLYCD O95822 1/20 0.30
▸ ESRRG P62508 1/20 0.30
▸ HDAC2 Q92769 2/20 0.30
▸ HDAC6 Q9UBN7 2/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC5 Q9UQL6 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL17987405 0.85 CYP11B2 (0.56) CYP11B2HDAC4MEN1ALDH1A1KMT2A
SCHEMBL17963580 0.83 ALDH1A1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL17987307 0.82 ALDH1A1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL17963588 0.78 MEN1 (0.40) CYP11B2MEN1ALDH1A1KMT2APDK2
SCHEMBL17987297 0.75 ALDH1A1 (0.52) CYP11B2HDAC4MEN1ALDH1A1KMT2A
SCHEMBL17987314 0.74 PLA2G2A (0.42) MEN1ALDH1A1KMT2A
SCHEMBL20547143 0.74 CYP11B2 (0.47) CYP11B2MEN1ALDH1A1KMT2A
SCHEMBL17987406 0.74 ALDH1A1 (0.49) CYP11B2HDAC4MEN1ALDH1A1KMT2A
SCHEMBL17987298 0.74 ALDH1A1 (0.53) CYP11B2MEN1ALDH1A1KMT2AHDAC6
SCHEMBL17987302 0.73 ALDH1A1 (0.50) CYP11B2HDAC4MEN1ALDH1A1KMT2A

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 CYP11B2 5/4885HDAC4 2735/4885MEN1 610/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 CYP11B2 5/4885HDAC4 2735/4885MEN1 610/4885

“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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