SCHEMBL14920148

SCHEMBL14920148

NCC1(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
PLAU P00749 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC6A4 P31645 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL14920987 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBPLAUKDM4E
SCHEMBL14920319 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBPLAUKDM4E
SCHEMBL4428168 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBPLAUKDM4E
SCHEMBL14935005 0.76 SLC6A3 (0.38) SLC6A3SLC6A4
SCHEMBL14920377 0.75 SLC6A4 (0.34) SLC6A3SLC6A4
SCHEMBL14920448 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBPLAUKDM4E
SCHEMBL14920146 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2PLAUGAAHTT
SCHEMBL14920531 0.73 KMT2A (0.43) ALDH1A1SMN1; SMN2POLBPLAUKDM4E
SCHEMBL14920299 0.73 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2POLBPLAUKDM4E
SCHEMBL16828379 0.72 MAPK1 (0.45) ALDH1A1SMN1; SMN2HTTL3MBTL1MEN1

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 19 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
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 ALDH1A1 2731/4885SMN1; SMN2 1641/4885POLB 2464/4885
US-20150223456-A1 PESTICIDAL COMPOUNDS C5, CBR3, C3AR1 ALDH1A1 1233/4885SMN1; SMN2 4296/4885POLB 4247/4885
US-20140296067-A1 PESTICIDAL COMPOUNDS C5, CBR3, C3AR1 ALDH1A1 1233/4885SMN1; SMN2 4296/4885POLB 4247/4885

“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.