SCHEMBL3885700

SCHEMBL3885700

FC(F)(F)c1ccc2nc(C(Cl)(Cl)Cl)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 8/20 0.55
▸ KCNH2 Q12809 5/20 0.52
▸ DGAT1 O75907 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SCN10A Q9Y5Y9 2/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ CBFB Q13951 1/20 0.50
▸ SOAT1 P35610 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL10694441 0.88 KDM4E (0.65) NPBWR1KCNH2DGAT1ALDH1A1CYP1A2
SCHEMBL2361268 0.87 NPSR1 (0.46) NPBWR1KCNH2DGAT1ALDH1A1CYP1A2
SCHEMBL14336639 0.83 KCNH2 (0.62) NPBWR1KCNH2DGAT1ALDH1A1CYP1A2
SCHEMBL1311258 0.79 NPBWR1 (0.58) NPBWR1KCNH2DGAT1SCN10ADYRK1A
SCHEMBL1835419 0.79 ALPL (0.51) KCNH2ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL20494892 0.78 DGAT1 (0.42) NPBWR1KCNH2DGAT1ALDH1A1CYP1A2
SCHEMBL1358510 0.77 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL31267625 0.76 ALDH1A1 (0.51) KCNH2ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL17690481 0.76 ALDH1A1 (0.42) KCNH2DGAT1ALDH1A1CYP1A2CYP2C9
SCHEMBL30672494 0.76 NPBWR1 (0.58) NPBWR1KCNH2DGAT1KDM4EMAPT

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
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 — — US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 — — US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 — — US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 — — US disclosed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 — — 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 (2 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-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NPBWR1 364/4885KCNH2 384/4885DGAT1 2203/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 NPBWR1 753/4885KCNH2 3941/4885DGAT1 248/4885

“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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