SCHEMBL751101

SCHEMBL751101

CCc1ccc(-c2ccc(Cl)cc2Cl)cc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.43
SRD5A2 P31213 1/20 0.41
MARS1 P56192 2/20 0.40
CRHR1 P34998 2/20 0.39
HSD11B1 P28845 1/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 2/20 0.37
IDO1 P14902 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL868480 0.77 TDP1 (0.47) AHRSRD5A2MARS1CRHR1HSD11B1
SCHEMBL6756395 0.74 AHR (0.53) AHRSRD5A2MARS1HSD11B1CNR1
SCHEMBL14785481 0.74 IDO1 (0.39) MAPK1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL15060592 0.73 AHR (0.52) AHRSRD5A2MARS1CRHR1HSD11B1
SCHEMBL3019241 0.72 EDNRB (0.36) AHRSRD5A2MARS1MAPK1TSHR
SCHEMBL25964868 0.72 AHR (0.40) AHRSRD5A2MARS1CRHR1HSD11B1
SCHEMBL155790 0.71 IDO1 (0.60) MAPK1CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL1137783 0.71 IDO1 (0.60) MAPK1CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL20512348 0.70 AHR (0.48) AHRSRD5A2MARS1HSD11B1MAPK1
Ammonia Solution, Strong SCHEMBL1168618 0.69 IDO1 (0.58) MAPK1CYP1A2CYP2C9CYP2C19IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
EP-2430028-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2013-08-28 EP disclosed
EP-2430028-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2013-08-28 EP disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
EP-2430028-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-03-21 EP disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 WO disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 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-20120115726-A1 HERBICIDAL COMPOUNDS DDT, NAT1, DDAH1 AHR 367/4885SRD5A2 917/4885MARS1 2704/4885

“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.