SCHEMBL2379685

SCHEMBL2379685

COc1ccc(C(F)(F)F)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
ESRRA P11474 1/20 0.51
AR P10275 11/20 0.50
PGR P06401 2/20 0.49
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
IDH1 O75874 1/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL5656320 0.89 AR (0.50) ALDH1A1KDM4EUSP2ESRRAAR
SCHEMBL7168165 0.88 ALDH1A1 (0.54) ALDH1A1KDM4EUSP2ESRRAAR
SCHEMBL12151755 0.85 AR (0.52) AR
SCHEMBL29546917 0.85 AR (0.52) AR
SCHEMBL10267017 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL12818198 0.83 AR (0.45) ESRRAAR
SCHEMBL30313130 0.82 XDH (0.48) ALDH1A1ESRRAAR
SCHEMBL16952914 0.82 L3MBTL1 (0.44) KDM4EESRRARAB9AL3MBTL1
SCHEMBL2526268 0.82 AR (0.53) ESRRAARPGR
SCHEMBL11461499 0.81 SCN9A (0.56) ARRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155593-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY REGENACY PHARMACEUTICALS LLC (US) 2021-05-27 US disclosed
US-20210155593-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY REGENACY PHARMACEUTICALS LLC (US) 2021-05-27 US disclosed
US-10858323-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2020-12-08 US disclosed
US-10858323-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2020-12-08 US disclosed
US-20190106392-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. 2019-04-11 US disclosed
US-20190106392-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. 2019-04-11 US disclosed
EP-3368026-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY Acetylon Pharmaceuticals, Inc. (US) 2018-09-05 EP disclosed
US-10040769-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2018-08-07 US disclosed
US-10040769-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2018-08-07 US disclosed
WO-2017075192-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. (US) 2017-05-04 WO disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 US disclosed
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 WO disclosed
US-6362372-B2 HYDROGENATION OF A TRIFLUOROBENZYLNITRILE BY HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA AND A CATALYST COMPRISING A PLATINUM GROUP ELEMENT; EXTREMELY HIGH YIELDS CENTRAL GLASS COMPANY, LIMITED (JP) 2002-03-26 US disclosed
US-20020007086-A1 Process for producing trifluoromethylbenzylamines CENTRAL GLASS COMPANY, LIMITED (JP) 2002-01-17 US disclosed
US-6175041-B1 HYDROGENATING A TRIFLUOROMETHYLBENZONITRILE WITH HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA, USING A RANEY CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 2001-01-16 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 (7 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-20020007086-A1 Process for producing trifluoromethylbenzylamines IDH1, INMT, TH ALDH1A1 1093/4885KDM4E 1350/4885USP2 958/4885
US-20210155593-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY HDAC4, HDAC5, HDAC9 ALDH1A1 633/4885KDM4E 113/4885USP2 1487/4885
US-10040769-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy HDAC4, HDAC5, HDAC9 ALDH1A1 633/4885KDM4E 113/4885USP2 1487/4885
US-20190106392-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY HDAC4, HDAC5, HDAC9 ALDH1A1 633/4885KDM4E 113/4885USP2 1487/4885
US-10858323-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy HDAC4, HDAC5, HDAC9 ALDH1A1 633/4885KDM4E 113/4885USP2 1487/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ALDH1A1 2830/4885KDM4E 2684/4885USP2 4025/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ALDH1A1 2830/4885KDM4E 2684/4885USP2 4025/4885

“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.