SCHEMBL4657492

SCHEMBL4657492

N#CC(C#N)(CCC(F)(F)F)Cc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
PNMT P11086 1/20 0.36
PKM P14618 1/20 0.35
PGR P06401 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
HSD11B1 P28845 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
GRIN2B Q13224 1/20 0.32
PYCR1 P32322 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4657455 0.82 TAAR1 (0.36) IDO1PKMTAAR1ALDH1A1LMNA
SCHEMBL4658455 0.81 GGPS1 (0.42) IDO1PGRKDM4EPYCR1
SCHEMBL4657362 0.80 NR3C1 (0.37) PGRALDH1A1KDM4E
SCHEMBL4714787 0.79 MRGPRX4 (0.41) ALDH1A1KDM4E
SCHEMBL4657447 0.76 ATM (0.40) TAAR1EPHX2ALDH1A1LMNA
SCHEMBL6824702 0.75 ALDH1A1 (0.40) IDO1PNMTPKMTAAR1ALDH1A1
SCHEMBL6265284 0.74 IDO1 (0.50) IDO1PNMTPKMTAAR1KCNJ5
SCHEMBL4658917 0.74 VCAM1 (0.43) HSD11B1ALDH1A1LMNA
SCHEMBL4658860 0.73 SLC6A4 (0.39) IDO1TAAR1EPHX2ALDH1A1KDM4E
SCHEMBL4716546 0.73 FDPS (0.40) IDO1PNMTTAAR1PYCR1

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 7 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
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 IDO1 382/4885PNMT 1061/4885PKM 2571/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 IDO1 278/4885PNMT 779/4885PKM 3226/4885

“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.