SCHEMBL17987540

SCHEMBL17987540

COc1ccc(Cc2onc3c2C(=O)CC(C2CCOCC2)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ PDE1A P54750 6/20 0.35
▸ PDE1B Q01064 6/20 0.35
▸ PDE1C Q14123 6/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CTSE P14091 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ CTSD P07339 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL20630137 0.69 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL17987358 0.68 MEN1 (0.44) KMT2AMEN1ALDH1A1POLBP2RX7
SCHEMBL20630109 0.67 KMT2A (0.38) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL31356815 0.65 PIM1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2RAB9AKDM4E
SCHEMBL20629806 0.65 MEN1 (0.37) KMT2AMEN1ALDH1A1
SCHEMBL9340622 0.61 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL22554349 0.60 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL20629820 0.59 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL25609125 0.58 MEN1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL874390 0.57 GLA (0.48) KMT2AMEN1POLBSMN1; SMN2

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 KMT2A 3968/4885MEN1 610/4885ALDH1A1 250/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 KMT2A 3968/4885MEN1 610/4885ALDH1A1 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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