SCHEMBL474786

SCHEMBL474786

Cc1cc2c(=O)n(C)c(=O)n(C)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ALDH1A1 P00352 4/20 0.36
PIK3CG P48736 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
PDE1B Q01064 2/20 0.33
CYP2C19 P33261 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 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
SCHEMBL19759435 0.77 PDE1A (0.46) ALDH1A1SMN1; SMN2HSD17B10CYP1A2PDE1B
SCHEMBL13963492 0.74 PKM (0.40) ALDH1A1RAB9AHSD17B10PKM
SCHEMBL8343119 0.70 ADORA2B (0.43) ALDH1A1MAPTCYP2C9ERCC5FEN1
SCHEMBL22104563 0.69 KDM4E (0.33) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL13377290 0.69 PKM (0.33) PKM
SCHEMBL25080112 0.69 ALDH1A1 (0.39) KDM4EALDH1A1RAB9AHSD17B10PKM
SCHEMBL4501800 0.68 GFER (0.39) KDM4EALDH1A1MAPTRAB9AHSD17B10
SCHEMBL8345507 0.67 ALDH1A1 (0.33) KDM4EALDH1A1MAPTRAB9AHSD17B10
SCHEMBL25080105 0.67 KMT2A (0.46) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6514929 0.67 ADORA2B (0.40) KDM4ERXFP1ALDH1A1PIK3CGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 US disclosed
US-8987278-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-24 US disclosed
EP-2634191-B1 Process for preparing derivatives of thienopyrimidinedione GLENMARK PHARMACEUTICALS SA (CH) 2014-12-24 EP disclosed
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-31 US disclosed
EP-2634191-A1 Process for preparing derivatives of thienopyrimidinedione Glenmark Pharmaceuticals S.A. (CH) 2013-09-04 EP disclosed
US-8507503-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-13 US disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-22 US disclosed
EP-2411396-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 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 (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-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 KDM4E 4699/4885RXFP1 2097/4885ALDH1A1 475/4885
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 KDM4E 4699/4885RXFP1 2097/4885ALDH1A1 475/4885
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 KDM4E 4699/4885RXFP1 2097/4885ALDH1A1 475/4885

“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.