SCHEMBL3112760

SCHEMBL3112760

Nc1cc(C(F)(F)F)c(Cl)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP3A4 P08684 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ PIK3CD O00329 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ CA12 O43570 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
SCHEMBL5179200 0.88 TSHR (0.45) TSHRGLAPOLBGAACYP3A4
SCHEMBL1040870 0.88 TSHR (0.45) TSHRGLAPOLBGAACYP3A4
SCHEMBL25077717 0.84 GAA (0.42) TSHRGLAPOLBGAACYP3A4
SCHEMBL12397904 0.84 GAA (0.42) TSHRGLAPOLBGAACYP3A4
SCHEMBL15556074 0.80 TSHR (0.42) TSHRGLAPOLBGAACYP3A4
SCHEMBL3115697 0.79 GAA (0.50) TSHRGLAPOLBGAAALDH1A1
SCHEMBL2434618 0.78 CYP3A4 (0.56) TSHRGLAPOLBGAACYP3A4
SCHEMBL20045608 0.78 CYP3A4 (0.46) TSHRGLAPOLBGAACYP3A4
SCHEMBL30739915 0.78 CYP3A4 (0.46) TSHRGLAPOLBGAACYP3A4
SCHEMBL11844970 0.78 GAA (0.54) TSHRGLAPOLBGAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA , LTD. (JP) 2010-07-15 — — US disclosed
EP-2172456-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PEST CONTROL AGENT CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-04-07 — — 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-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT CHRM2, CHRM5, CHRM3 TSHR 454/4885GLA 4728/4885POLB 3136/4885

“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.

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