SCHEMBL123503

SCHEMBL123503

Cc1ccc2c(C(F)F)c(C(=O)O)c(Cl)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA1 P30542 1/20 0.40
DHODH Q02127 7/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.33
SORT1 Q99523 1/20 0.33
MEN1 O00255 1/20 0.33
XIAP P98170 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 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
SCHEMBL126122 0.86 ADORA1 (0.35) ALDH1A1MAPK1SMN1; SMN2ADORA1CYP1A2
SCHEMBL125375 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2DHODHKMT2A
SCHEMBL3837660 0.65 P2RX7 (0.48) ALDH1A1MAPK1SMN1; SMN2DHODHKMT2A
SCHEMBL27838059 0.65 DHODH (0.35) ALDH1A1MAPK1SMN1; SMN2ADORA1DHODH
SCHEMBL3431852 0.65 DHODH (0.35) ALDH1A1MAPK1SMN1; SMN2ADORA1DHODH
SCHEMBL25487575 0.64 ALDH1A1 (0.51) ALDH1A1MAPK1SMN1; SMN2DHODHCYP2D6
SCHEMBL2960211 0.63 ADORA1 (0.64) ADORA1CYP1A2KMT2AKDM4EPKM
SCHEMBL20594098 0.62 FABP4 (0.51) ALDH1A1SMN1; SMN2DHODHCYP2C9KDM4E
SCHEMBL28867063 0.62 SMN1; SMN2 (0.33) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9657309 0.62 DHODH (0.45) ALDH1A1DHODHCYP2D6CYP2C19KMT2A

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
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 CN disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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 (1 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT ALDH1A1 677/4885MAPK1 2557/4885SMN1; SMN2 4050/4885

“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.