SCHEMBL16446963

SCHEMBL16446963

CC1=C(Cl)C(=O)N(c2cc(C(F)(F)F)c(I)cn2)C1O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ LCAT P04180 1/20 0.32

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
SCHEMBL19190783 0.88 NPC1 (0.33) COMTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL16446306 0.86 COMT (0.32) COMTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL16454257 0.83 COMT (0.31) COMTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL16454344 0.83 AR (0.48) LCAT
SCHEMBL16446999 0.75 COMT (0.32) COMTNPC1SMN1; SMN2
SCHEMBL16647301 0.74 LCAT (0.33) LCAT
SCHEMBL16637561 0.72 LCAT (0.32) LCAT
SCHEMBL16671223 0.72 LCAT (0.34) LCAT
SCHEMBL17562977 0.72 ALOX15 (0.35) SMN1; SMN2
SCHEMBL20320527 0.71 COMT (0.38) COMT

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 — — US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 — — US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 — — US disclosed
EP-3030081-B1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-08-02 — — EP disclosed
EP-3030081-B1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-08-02 — — EP disclosed
EP-3030081-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES Syngenta Participations AG (CH) 2016-06-15 — — EP disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 — — US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 — — US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 — — US disclosed
WO-2015018431-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 — — WO disclosed
WO-2015018431-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 — — 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 COMT 1629/4885NPC1 4651/4885PKM 181/4885

“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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