SCHEMBL2201319

SCHEMBL2201319

c1ccc2c(C3CNCC[N]3)nsc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
EPAS1 Q99814 5/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
FTO Q9C0B1 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
SCHEMBL6184493 0.77 KDM4E (0.33) KDM4EMAPT
SCHEMBL2978037 0.75 KDM4E (0.42) KDM4EMAPTHSD17B10ALDH1A1EPAS1
SCHEMBL1255261 0.75 KDM4E (0.40) KDM4EALDH1A1CYP1A2
SCHEMBL4558894 0.73 HTR2A (0.44) KDM4EMAPTHSD17B10ALDH1A1DRD2
Hydrochloric Acid SCHEMBL3149408 0.73 KDM4E (0.44) KDM4EMAPTHSD17B10ALDH1A1EPAS1
SCHEMBL1545124 0.72 KDM4E (0.49) KDM4EMAPTHSD17B10ALDH1A1EPAS1
Hydrochloric Acid SCHEMBL1838069 0.71 KDM4E (0.51) KDM4EMAPTHSD17B10ALDH1A1EPAS1
SCHEMBL6801582 0.71 SSTR4 (0.35) DRD2
SCHEMBL2202390 0.71 MAPT (0.44) MAPTALDH1A1CYP2D6
SCHEMBL571789 0.69 SLC18A3 (0.41) KDM4EMAPTHSD17B10ALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
CN-102448943-A 2, 4 -diaminopyrimidines for the treatment of diseases characterised by excessive or abnormal cell proliferation BOEHRINGER INGELHEIM INT 2012-05-09 CN disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
EP-1558608-A1 OXINDOLE SUBSTITUTED PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-08-03 EP disclosed
US-20040142933-A1 Oxindole substituted piperazine derivatives FORREST GEORGE WILLIAM (CA) 2004-07-22 US disclosed
WO-2004037820-A1 OXINDOLE SUBSTITUTED PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-05-06 WO disclosed
US-4968792-A Psychotropic benzisothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-11-06 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 (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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 KDM4E 217/4885MAPT 1028/4885HSD17B10 96/4885
US-20040142933-A1 Oxindole substituted piperazine derivatives OPRK1, OPRD1, CNR1 KDM4E 2198/4885MAPT 611/4885HSD17B10 1925/4885

“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.