SCHEMBL7121374

SCHEMBL7121374

CN1CCCC(Cc2ccc(Cl)nc2)C1=NC#N

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNA3 P32297 2/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNB3 Q05901 1/20 0.38
TRPA1 O75762 1/20 0.36

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
SCHEMBL7122500 0.93 KMT2A (0.46) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL7130410 0.78 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL7130407 0.78 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL7127186 0.74 CHRNA7 (0.41) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL7128063 0.71 CHRNA7 (0.43) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL7118289 0.71 CHRNA3 (0.50) CHRNA7KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL7123471 0.71 ALDH1A1 (0.41) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL7123474 0.71 ALDH1A1 (0.41) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL7128805 0.70 ALDH1A1 (0.45) CHRNA7MEN1KMT2AALDH1A1CHRNB2
SCHEMBL12593730 0.67 KMT2A (0.39) CHRNA7MEN1KMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664248-B2 Well tolerated by animals, fish and plants SYNGENTA INVESTMENT CORP. 2003-12-16 US claimed
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2003-09-04 US claimed
US-20020068733-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2002-06-06 US claimed
US-6353001-B1 PESTICIDES, INSECTICIDES, APHIDICIDES AND LARVICIDES SYNGENTA INVESTMENT CORPORATION 2002-03-05 US claimed
EP-0693066-B1 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-16 EP claimed
WO-1994024124-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-10-27 WO claimed
US-6664248-B2 Well tolerated by animals, fish and plants SYNGENTA INVESTMENT CORP. 2003-12-16 US disclosed
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2003-09-04 US disclosed
US-6506743-B2 Especially for controlling insects. SYNGENTA INVESTMENT CORPORATION 2003-01-14 US disclosed
US-20020068733-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides MAIENFISCH PETER (CH) 2002-06-06 US disclosed
US-6353001-B1 PESTICIDES, INSECTICIDES, APHIDICIDES AND LARVICIDES SYNGENTA INVESTMENT CORPORATION 2002-03-05 US disclosed
EP-0693066-B1 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-16 EP disclosed
US-6048824-A 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides NOVARTIS CORPORATION (US) 2000-04-11 US disclosed
WO-1994024124-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-10-27 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-20020068733-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides HCN1, HCN2, CNTN1 CHRNA7 285/4885MEN1 1527/4885KMT2A 2135/4885
US-20030166635-A1 Novel 2-nitromethylidene/2-cyanimino/2-nitro-imino-pyrrolidines and piperidines, intermediates, and their use as pesticides HCN1, HCN2, CNTN1 CHRNA7 275/4885MEN1 1598/4885KMT2A 2316/4885

“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.