SCHEMBL2830708

SCHEMBL2830708

O=C(c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc12)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
RORC P51449 8/20 0.50
KDM4E B2RXH2 1/20 0.48
IDO1 P14902 4/20 0.47
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TNF P01375 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2863488 0.91 RORC (0.52) HTTRORCKDM4ECYP2C9CYP3A4
SCHEMBL979449 0.78 RORC (0.35) HTTRORCKDM4EIDO1HPGD
SCHEMBL2831553 0.78 MAPT (0.40) HTTRORCKDM4ECYP2C9HPGD
SCHEMBL6869652 0.77 ALDH1A1 (0.53) HTTRORCKDM4ECYP2C9HPGD
SCHEMBL2829188 0.76 MAPT (0.42) HTTRORCKDM4ECYP2C9CYP3A4
SCHEMBL3200271 0.74 MAPT (0.38) HTTRORCKDM4ECYP2C9HPGD
SCHEMBL6867220 0.74 MAPT (0.47) HTTRORCKDM4ECYP2C9HPGD
SCHEMBL7238315 0.74 MAPT (0.43) HTTRORCKDM4ECYP2C9CYP3A4
SCHEMBL2828429 0.74 GABRA2 (0.45) HTTRORCKDM4ECYP2C9HPGD
SCHEMBL3219619 0.73 MAPT (0.40) HTTRORCKDM4ECYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945611-B1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2010-01-06 EP disclosed
US-20090227538-A1 N-(Hetero)Aryl Indole Derivatives as Pesticides NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-1945611-A1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES Novartis Pharma AG (CH) 2008-07-23 EP disclosed
WO-2007051619-A1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2007-05-10 WO disclosed
EP-1783114-A1 N-(hetero)aryl indole derivatives as pesticides Novartis AG (CH) 2007-05-09 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 (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-20090227538-A1 N-(Hetero)Aryl Indole Derivatives as Pesticides IDO1, IDO2, CHRM1 HTT 448/4885RORC 1420/4885KDM4E 2094/4885

“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.