SCHEMBL877052

SCHEMBL877052

O=C(O)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NMBR P28336 1/20 0.38
ENPP2 Q13822 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
SCHEMBL9239485 0.88 SIRT2 (0.44) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL877785 0.85 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL9239498 0.84 SIRT2 (0.43) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL1038850 0.84 SIRT2 (0.52) SIRT2NMBR
Hydrochloric Acid SCHEMBL8892437 0.84 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL9263718 0.82 SIRT2 (0.45) SIRT2
SCHEMBL6777569 0.82 SIRT2 (0.48) SIRT2NMBR
SCHEMBL1342 0.82 SIRT2 (0.45) SIRT2CYP11B1CYP11B2NMBRENPP2
SCHEMBL7988581 0.82 SIRT2 (0.42) SIRT2CYP11B1CYP11B2NMBRENPP2
Acetic Acid SCHEMBL7659782 0.82 SIRT2 (0.47) SIRT2CYP11B1CYP11B2NMBRENPP2

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662310-B2 Cyclopropanecarboxylic acid derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-05-30 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
EP-2548872-B1 CYCLOPROPANECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-09-28 EP disclosed
WO-2016109361-A2 3-FLUORO-BENZONITRILE INHIBITORS OF 11-BETA-HYDROXYLASE AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20150216847-A1 CYCLOPROPANECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-06 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8946443-B2 Cyclopropanecarboxylic acid derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
WO-2000001701-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
WO-1999035163-A1 PHENYLALANINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-15 WO disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
US-5140034-A Hydroxytryptamine receptor antagonists; psychological and gastrointestinal disorders MERCK SHARP & DOHME LTD. (GB) 1992-08-18 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 (3 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D SIRT2 1594/4885CYP11B1 405/4885CYP11B2 612/4885
US-20150216847-A1 CYCLOPROPANECARBOXYLIC ACID DERIVATIVE TFPI, TFPI2, TAF11 SIRT2 4383/4885CYP11B1 317/4885CYP11B2 328/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 SIRT2 2715/4885CYP11B1 5/4885CYP11B2 14/4885

“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.