SCHEMBL271573

SCHEMBL271573

N#CC(C#N)=Cc1cc(Cl)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.61
GABRA1 P14867 5/20 0.50
GABRG2 P18507 5/20 0.50
GABRB3 P28472 5/20 0.50
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PABPC1 P11940 1/20 0.42
EGFR P00533 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
GABRB1 P18505 2/20 0.40
GABRB2 P47870 2/20 0.40

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
SCHEMBL272063 0.85 GABRA1 (0.69) TRPA1GABRA1GABRG2GABRB3MEN1
SCHEMBL8163756 0.81 GABRA1 (0.47) TRPA1GABRA1GABRG2GABRB3KDM4E
SCHEMBL8274638 0.79 GABRA1 (0.45) TRPA1GABRA1GABRG2GABRB3MEN1
SCHEMBL15286750 0.78 MEN1 (0.55) TRPA1GABRA1GABRG2GABRB3MEN1
SCHEMBL9876993 0.76 MAPT (0.68) TRPA1MEN1KMT2AKDM4EMAPT
SCHEMBL436060 0.76 TRPA1 (1.00) TRPA1MEN1KMT2AKDM4EMAPT
SCHEMBL29404696 0.76 TRPA1 (1.00) TRPA1MEN1KMT2AKDM4EMAPT
SCHEMBL1929502 0.74 KMT2A (0.54) TRPA1GABRA1GABRG2GABRB3MEN1
SCHEMBL10779476 0.72 TRPA1 (0.59) TRPA1GABRA1GABRG2GABRB3MEN1
SCHEMBL3246487 0.72 APP (0.63) TRPA1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-7825242-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-11-02 US disclosed
US-7825242-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-11-02 US disclosed
US-7825242-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-11-02 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
WO-2008121506-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed
EP-1773832-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-04-18 EP disclosed
WO-2006019965-A2 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-02-23 WO disclosed
WO-2006020017-A2 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-02-23 WO disclosed
US-20060014764-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-19 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-20060014764-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 TRPA1 4053/4885GABRA1 3540/4885GABRG2 2931/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 TRPA1 3538/4885GABRA1 4000/4885GABRG2 4090/4885

“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.