SCHEMBL938873

SCHEMBL938873

Cn1nc(C(F)(F)F)c(CBr)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
CYP2C19 P33261 6/20 0.40
CYP1A2 P05177 5/20 0.40
CYP2C9 P11712 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.35
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL16371935 0.83 ALDH1A1 (0.42) ALDH1A1LMNACYP2C19CYP1A2CYP2C9
SCHEMBL13990847 0.83 ALDH1A1 (0.42) ALDH1A1LMNACYP2C19CYP1A2CYP2C9
SCHEMBL24424694 0.81 ALDH1A1 (0.41) ALDH1A1LMNACYP2C19CYP1A2CYP2C9
SCHEMBL5263020 0.81 ALDH1A1 (0.44) ALDH1A1LMNACYP2C19CYP1A2CYP2C9
SCHEMBL940397 0.81 ALDH1A1 (0.41) ALDH1A1LMNACYP2C19CYP1A2CYP2C9
SCHEMBL12775747 0.80 ALDH1A1 (0.41) ALDH1A1LMNACYP2C19CYP1A2CYP2C9
SCHEMBL12844292 0.80 ALDH1A1 (0.41) ALDH1A1LMNACYP2C19CYP1A2CYP2C9
SCHEMBL938913 0.79 MPO (0.41) LMNACYP2C19CYP1A2CYP2C9L3MBTL1
SCHEMBL939808 0.79 MEN1 (0.31) KMT2AMEN1SMN1; SMN2
SCHEMBL22912551 0.79 ALDH1A1 (0.48) ALDH1A1LMNACYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024065019-A1 CONCENTRATED HERBICIDE COMPOSITION OF GLUFOSINATE AND CARFENTRAZONE, FORMULATION AND METHOD OURO FINO QUÍMICA S.A. (BR) 2024-04-04 WO disclosed
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
US-7833939-B2 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-16 US disclosed
EP-1405853-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-03 EP disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
EP-1885720-A2 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2008-02-13 EP disclosed
WO-2006123088-A2 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-11-23 WO disclosed
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 US disclosed
US-20040259734-A1 Izoxazoline derivative and herbicide IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-23 US disclosed
EP-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP 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-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 ALDH1A1 160/4885LMNA 4600/4885CYP2C19 823/4885
US-20040259734-A1 Izoxazoline derivative and herbicide HCN4, HDHD5, KCNJ1 ALDH1A1 621/4885LMNA 4793/4885CYP2C19 1057/4885
US-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 ALDH1A1 312/4885LMNA 2455/4885CYP2C19 204/4885

“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.