SCHEMBL16486199

SCHEMBL16486199

COC(=O)c1cc(C)c(=O)n(C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.46
BRD9 Q9H8M2 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19869660 0.81 BRD4 (0.69) BRD4BRD9SMN1; SMN2ALDH1A1CA12
SCHEMBL924584 0.81 ALDH1A1 (0.58) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20945149 0.81 KDM4E (0.49) BRD4SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL23217732 0.81 CYP1A2 (0.46) BRD4SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL21384011 0.81 ALDH1A1 (0.45) BRD4SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL480606 0.79 BRD4 (0.50) BRD4BRD9
SCHEMBL18092436 0.79 CA1 (0.45) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30814624 0.79 SMN1; SMN2 (0.44) BRD4SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL20726642 0.78 BRD4 (0.66) BRD4BRD9SMN1; SMN2KDM4EHSD17B10
SCHEMBL16486285 0.78 BRD4 (0.49) BRD4BRD9

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210038602-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-11 US disclosed
WO-2019145410-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-01 WO disclosed
EP-3140304-B1 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2018-05-02 EP disclosed
EP-3140304-A1 BENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2017-03-15 EP disclosed
US-9428515-B2 Benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-30 US disclosed
US-9428515-B2 Benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-30 US disclosed
EP-3033335-A1 PYRIDINONES Boehringer Ingelheim International GmbH (DE) 2016-06-22 EP disclosed
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150322073-A1 Benzimidazole Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 US disclosed
WO-2015169962-A1 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 WO disclosed
WO-2015169962-A1 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 WO disclosed
US-20150322073-A1 Benzimidazole Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 WO disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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 (4 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-20210038602-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BRD4, MCL1, BET1 BRD4 1/4885BRD9 13/4885SMN1; SMN2 4148/4885
US-20150322073-A1 Benzimidazole Derivatives MKI67, CCNI, CCND1 BRD4 78/4885BRD9 705/4885SMN1; SMN2 1322/4885
US-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885BRD9 3868/4885SMN1; SMN2 1377/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 BRD4 1346/4885BRD9 3868/4885SMN1; SMN2 1377/4885

“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.