SCHEMBL2863488

SCHEMBL2863488

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.52
CYP2C9 P11712 5/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RECQL P46063 1/20 0.42
TNF P01375 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL2830708 0.91 HTT (0.52) RORCCYP2C9CYP3A4HPGDCYP1A2
SCHEMBL2831553 0.77 MAPT (0.40) RORCCYP2C9HPGDCYP1A2CYP2C19
SCHEMBL6869652 0.76 ALDH1A1 (0.53) RORCCYP2C9HPGDCYP1A2CYP2C19
SCHEMBL2829188 0.75 MAPT (0.42) RORCCYP2C9CYP3A4HPGDCYP1A2
SCHEMBL3219619 0.75 MAPT (0.40) RORCCYP2C9HPGDCYP1A2CYP2C19
SCHEMBL4411178 0.75 GABRA2 (0.44) RORCCYP2C9HPGDCYP1A2CYP2C19
SCHEMBL3200271 0.73 MAPT (0.38) RORCCYP2C9HPGDCYP1A2CYP2C19
SCHEMBL6867220 0.73 MAPT (0.47) RORCCYP2C9HPGDCYP1A2CYP2C19
SCHEMBL7238315 0.73 MAPT (0.43) RORCCYP2C9CYP3A4HPGDCYP1A2
SCHEMBL2828429 0.73 GABRA2 (0.45) RORCCYP2C9HPGDCYP1A2CYP2C19

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 RORC 1420/4885CYP2C9 23/4885CYP3A4 98/4885

“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.