SCHEMBL14920299

SCHEMBL14920299

N#CC1(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 8/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
GAA P10253 7/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 3/20 0.40
PLAU P00749 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14919923 0.76 PLAU (0.36) HTTPLAU
SCHEMBL14919965 0.75
SCHEMBL26121235 0.73 ALDH1A1 (0.43) L3MBTL1ALDH1A1TRPM8GAAHTT
SCHEMBL31338960 0.73 ALDH1A1 (0.43) L3MBTL1ALDH1A1TRPM8GAAHTT
SCHEMBL14920148 0.73 ALDH1A1 (0.45) L3MBTL1ALDH1A1GAAHTTPOLB
SCHEMBL14920531 0.73 KMT2A (0.43) L3MBTL1ALDH1A1GAAHTTPOLB
SCHEMBL14920319 0.73 ALDH1A1 (0.42) L3MBTL1ALDH1A1GAAHTTPOLB
SCHEMBL14920987 0.73 ALDH1A1 (0.48) L3MBTL1ALDH1A1GAAHTTPOLB
SCHEMBL14920448 0.72 ALDH1A1 (0.44) ALDH1A1GAAHTTPOLBKDM4E
SCHEMBL14920146 0.71 ALDH1A1 (0.50) ALDH1A1GAAHTTPLAUSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773617-B1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-22 EP disclosed
US-20160309717-A1 Compounds with Nematicidal Activity BAYER CROPSCIENCE AG (DE) 2016-10-27 US disclosed
US-20160309717-A1 Compounds with Nematicidal Activity BAYER CROPSCIENCE AG (DE) 2016-10-27 US disclosed
US-20160309717-A1 Compounds with Nematicidal Activity BAYER CROPSCIENCE AG (DE) 2016-10-27 US disclosed
EP-3083585-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer CropScience Aktiengesellschaft (DE) 2016-10-26 EP disclosed
US-20150223456-A1 PESTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2015-08-13 US disclosed
US-20150223456-A1 PESTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2015-08-13 US disclosed
US-20150223456-A1 PESTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2015-08-13 US disclosed
WO-2015091424-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2015-06-25 WO disclosed
WO-2015091424-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2015-06-25 WO disclosed
US-9040708-B2 Pesticidal compounds SYNGENTA LIMITED (GB) 2015-05-26 US disclosed
US-9040708-B2 Pesticidal compounds SYNGENTA LIMITED (GB) 2015-05-26 US disclosed
US-9040708-B2 Pesticidal compounds SYNGENTA LIMITED (GB) 2015-05-26 US disclosed
US-20140296067-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 US disclosed
US-20140296067-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 US disclosed
US-20140296067-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 US disclosed
EP-2773617-A1 PESTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-09-10 EP disclosed
WO-2013064521-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 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 (3 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-20160309717-A1 Compounds with Nematicidal Activity ACHE, NAAA, TUBA3C L3MBTL1 1028/4885ALDH1A1 2731/4885TRPM8 918/4885
US-20150223456-A1 PESTICIDAL COMPOUNDS C5, CBR3, C3AR1 L3MBTL1 289/4885ALDH1A1 1233/4885TRPM8 3406/4885
US-20140296067-A1 PESTICIDAL COMPOUNDS C5, CBR3, C3AR1 L3MBTL1 289/4885ALDH1A1 1233/4885TRPM8 3406/4885

“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.