SCHEMBL16401484

SCHEMBL16401484

O=[C]c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.46
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC22A12 Q96S37 2/20 0.40
KDM4E B2RXH2 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
IDH1 O75874 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
POLQ O75417 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL15226809 0.84 PTGDR2 (0.43) ARRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL7266952 0.80 GLA (0.39) ARRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL9996813 0.80 AR (0.46) ARRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL950544 0.80 AR (0.68) ARSLC22A12
SCHEMBL6211022 0.78 AR (0.43) ARKDM4EHCAR1MAPTHTT
SCHEMBL2703782 0.78 CES2 (0.50) AR
SCHEMBL162277 0.76 RAB9A (0.40) ARRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL29648862 0.76 RAB9A (0.40) ARRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL11507070 0.73 VCAM1 (0.39) TP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL3789153 0.73 CYP3A4 (0.52) ARRAB9ACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US disclosed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN disclosed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US disclosed
CN-106414480-A POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS 莫纳什大学 2017-02-15 CN disclosed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP disclosed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO disclosed
WO-2015008234-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-01-22 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-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC AR 4243/4885RAB9A 3902/4885CYP1A2 4813/4885

“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.