SCHEMBL403090

SCHEMBL403090

Clc1ccccc1-c1nccnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.47
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2C19 P33261 6/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP2D6 P10635 5/20 0.43
MAPK1 P28482 3/20 0.43
NOTUM Q6P988 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GBA1 P04062 1/20 0.43
LMNA P02545 2/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL4451568 0.85 NOTUM (0.46) CYP2D6MAPK1NOTUMGRM5
SCHEMBL1586221 0.81 CYP19A1 (0.55) LDHAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30709047 0.79 CYP2A6 (0.38) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL17007732 0.77 HTR2B (0.49) RAB9ASMN1; SMN2TP53CYP19A1CYP3A4
SCHEMBL3632190 0.77 LDHA (0.52) LDHAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL28133533 0.76 CYP1A2 (0.50) HPGDNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL20657047 0.76 SMN1; SMN2 (0.46) HPGDSMN1; SMN2CYP19A1ALDH1A1MAPK1
SCHEMBL407791 0.76 NOTUM (0.43) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL404300 0.76 PBRM1 (0.47) HPGDNPC1RAB9ASMN1; SMN2TP53
Clofentezine SCHEMBL30917908 0.75 LDHA (0.59) LDHAHPGDNPC1RAB9ASMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US 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 (5 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LDHA 1008/4885HPGD 2284/4885NPC1 4585/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LDHA 1008/4885HPGD 2284/4885NPC1 4585/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LDHA 1340/4885HPGD 2028/4885NPC1 4365/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LDHA 1008/4885HPGD 2284/4885NPC1 4585/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LDHA 1008/4885HPGD 2284/4885NPC1 4585/4885

“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.