SCHEMBL17047703

SCHEMBL17047703

CC1=C(C)C(Cl)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.44
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ADRB1 P08588 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
IDH1 O75874 1/20 0.32
PHGDH O43175 2/20 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
SCHEMBL18325154 0.92 FFAR4 (0.39) XPO1CYP1A2MEN1CYP3A4CYP2D6
SCHEMBL17047742 0.85 MEN1 (0.54) CYP1A2MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL17047809 0.84 CCR1 (0.40) CYP1A2MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL17047739 0.76 XPO1 (0.40) XPO1CYP1A2MEN1CYP3A4CYP2D6
SCHEMBL17047810 0.72 XPO1 (0.56) XPO1CYP1A2JUNNFKB1NFKB2
SCHEMBL17047759 0.70 XPO1 (0.40) XPO1CYP1A2MEN1CYP3A4CYP2D6
SCHEMBL18325153 0.70 FFAR4 (0.36) XPO1CYP1A2MEN1CYP3A4CYP2D6
SCHEMBL17047671 0.66 HCAR1 (0.31) MEN1KMT2AIDH1
SCHEMBL13278809 0.64 IDH1 (0.39) ADRB1IDH1
SCHEMBL5573390 0.62 JUN (0.46) XPO1MEN1KMT2AJUNNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110808-B1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-29 EP disclosed
US-9751867-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-9751867-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
EP-3110808-A1 PLANT GROWTH REGULATING COMPOUNDS Syngenta Participations AG (CH) 2017-01-04 EP disclosed
US-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-12-22 US disclosed
US-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-12-22 US disclosed
WO-2015128321-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-09-03 WO disclosed
WO-2015128321-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-09-03 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-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS GHDC, GAK, EIF4G2 XPO1 3503/4885CYP1A2 2741/4885MEN1 4325/4885

“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.