SCHEMBL4657442

SCHEMBL4657442

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
IDO1 P14902 3/20 0.34
MAOB P27338 5/20 0.34
MAOA P21397 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
MIF P14174 1/20 0.32
DPP4 P27487 1/20 0.32
AGXT P21549 2/20 0.31
KIF11 P52732 2/20 0.31

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
SCHEMBL4656045 0.84 SLC6A4 (0.40) TAAR1IDO1MAOBMAOAESR1
SCHEMBL4658834 0.84 MAOA (0.33) LOXL2TAAR1IDO1MAOBMAOA
SCHEMBL4657528 0.84 HTR2A (0.35) TAAR1IDO1MAOBMAOAESR1
SCHEMBL4656221 0.84 LOXL2 (0.47) LOXL2IDO1MAOBMAOAKIF11
SCHEMBL4657483 0.82 TAAR1 (0.43) TAAR1IDO1MAOBESR1ESR2
SCHEMBL6918166 0.80 PSMD14 (0.40) ESR1ESR2DPP4
SCHEMBL4658753 0.80 APP (0.41) TAAR1IDO1MAOBMAOAMIF
SCHEMBL4655991 0.77 LOXL2 (0.46) LOXL2IDO1
SCHEMBL6839306 0.76 SMN1; SMN2 (0.36) LOXL2TAAR1IDO1MAOBMAOA
SCHEMBL4657412 0.73 TAAR1 (0.41) TAAR1IDO1MAOBESR1ESR2

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 5 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-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

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 LOXL2 2344/4885TAAR1 644/4885IDO1 382/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 LOXL2 1733/4885TAAR1 632/4885IDO1 278/4885

“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.