SCHEMBL4656285

SCHEMBL4656285

N#CC(C#N)Cc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.50
PTPN1 P18031 2/20 0.50
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A4 P31645 3/20 0.39
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL350873 0.76 PTPRZ1 (0.55) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL8245050 0.76 PTPRZ1 (0.55) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL4657387 0.76 TAAR1 (0.44) ALDH1A1KDM4EKIF11
SCHEMBL1443060 0.72 TRPA1 (0.44) ALDH1A1ESR1ESR2MEN1CYP1A2
SCHEMBL18998006 0.72 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6001747 0.72 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL4656296 0.71 ACACB (0.45) PTPN1ALDH1A1TDP1SLC6A4EPHX2
SCHEMBL19063267 0.71 PTPRZ1 (0.50) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL26195055 0.70 PTPRZ1 (0.49) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL11167652 0.69 ALDH1A1 (0.40) PTPRZ1PTPN1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 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
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
CN-1523958-A Pesticide compositions comprising malononitrile compounds ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN 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 (4 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 PTPRZ1 2616/4885PTPN1 2744/4885ALDH1A1 1502/4885
US-20040143007-A1 Malononitrile compounds and their use as pesticides MAL2, ME1, CBR3 PTPRZ1 2451/4885PTPN1 1629/4885ALDH1A1 1262/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 PTPRZ1 2733/4885PTPN1 1278/4885ALDH1A1 614/4885
US-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 PTPRZ1 2274/4885PTPN1 1245/4885ALDH1A1 867/4885

“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.