SCHEMBL4657227

SCHEMBL4657227

N#CC(C#N)Cc1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.43
NAAA Q02083 1/20 0.37
KDM1A O60341 3/20 0.35
PDPK1 O15530 1/20 0.35
AKR1B1 P15121 1/20 0.35
DPP4 P27487 1/20 0.34
DGAT1 O75907 1/20 0.33
CHRM5 P08912 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
CSNK2A1 P68400 1/20 0.32
KDM1B Q8NB78 1/20 0.32

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
SCHEMBL16064312 0.83 PYCR1 (0.41) PYCR1NAAAKDM1APDPK1AKR1B1
SCHEMBL19864330 0.83 PYCR1 (0.44) PYCR1NAAAKDM1APDPK1AKR1B1
SCHEMBL16043165 0.83 PYCR1 (0.41) PYCR1NAAAKDM1APDPK1AKR1B1
SCHEMBL29809175 0.83 PYCR1 (0.41) PYCR1NAAAKDM1APDPK1AKR1B1
Hydrochloric Acid SCHEMBL31325365 0.81 PYCR1 (0.40) PYCR1NAAAKDM1APDPK1AKR1B1
SCHEMBL8252272 0.76 PYCR1 (0.46) PYCR1NAAAKDM1APDPK1AKR1B1
SCHEMBL5825 0.76 CSNK2A1 (0.49) PYCR1NAAAKDM1APDPK1AKR1B1
SCHEMBL29609415 0.76 CSNK2A1 (0.49) PYCR1NAAAKDM1APDPK1AKR1B1
SCHEMBL1443482 0.75 CYP1A1 (0.40) NAAAKDM1A
SCHEMBL19361426 0.75 KDM1A (0.37) PYCR1NAAAKDM1APDPK1AKR1B1

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 9 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
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
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 US 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

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-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 PYCR1 402/4885NAAA 332/4885KDM1A 2339/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 PYCR1 272/4885NAAA 863/4885KDM1A 793/4885

“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.