SCHEMBL4419129

SCHEMBL4419129

N#CC(C#N)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.53
IDO1 P14902 4/20 0.47
TAAR1 Q96RJ0 1/20 0.44
SLC6A3 Q01959 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SIGMAR1 Q99720 4/20 0.39
PYCR1 P32322 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL14135682 0.83 PNMT (0.37) PNMTIDO1SLC6A3SLC6A2SLC6A4
SCHEMBL8499284 0.82 PNMT (0.52) PNMTIDO1TAAR1SLC6A3SLC6A2
SCHEMBL26649158 0.81 PNMT (0.59) PNMTIDO1TAAR1SLC6A3SLC6A2
SCHEMBL19002457 0.78 KMO (0.48) PNMTSLC6A3SLC6A2SLC6A4
SCHEMBL4657515 0.77 SLC6A4 (0.52) IDO1TAAR1SLC6A3SLC6A2SLC6A4
SCHEMBL11565787 0.76 PNMT (0.49) PNMTIDO1TAAR1SLC6A3SLC6A2
SCHEMBL9841199 0.75 PNMT (0.45) PNMTIDO1DPP4FAPDPP8
SCHEMBL1442961 0.74 PNMT (0.56) PNMTIDO1TAAR1SIGMAR1
SCHEMBL29609180 0.72 IDO1 (0.52) PNMTIDO1TAAR1SLC6A3SLC6A2
SCHEMBL26004833 0.72 PNMT (0.64) PNMTIDO1TAAR1SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973404-B1 MALONONITRILE COMPOUNDS MERIAL INC (US) 2015-10-28 EP disclosed
US-8916592-B2 Malononitrile compounds MERIAL LIMITED (US) 2014-12-23 US disclosed
US-20090326012-A1 Malononitrile Compounds MERIAL, INC. 2009-12-31 US disclosed
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
EP-1973404-A1 MALONONITRILE COMPOUNDS BASF SE (DE) 2008-10-01 EP disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
WO-2007071609-A1 MALONONITRILE COMPOUNDS BASF SE (DE) 2007-06-28 WO disclosed
US-7011838-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-14 US disclosed
US-20050209323-A1 Malononitrile compounds and their use as pesticides OTAKA KEN 2005-09-22 US disclosed
US-20040143007-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 US disclosed
EP-1392647-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-03-03 EP disclosed
EP-1385377-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
EP-1385817-A2 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
WO-2002090320-A2 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 WO disclosed
WO-2002090321-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 WO disclosed
WO-2002089579-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 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 (5 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-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 PNMT 1061/4885IDO1 382/4885TAAR1 644/4885
US-20040143007-A1 Malononitrile compounds and their use as pesticides MAL2, ME1, CBR3 PNMT 883/4885IDO1 218/4885TAAR1 697/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 PNMT 779/4885IDO1 278/4885TAAR1 632/4885
US-20090326012-A1 Malononitrile Compounds NR0B2, NR2C2, NR0B1 PNMT 2566/4885IDO1 2625/4885TAAR1 875/4885
US-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 PNMT 1108/4885IDO1 389/4885TAAR1 564/4885

“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.