SCHEMBL14745317

SCHEMBL14745317

Cn1ccc2cc(C=O)c(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.53
PRKCI P41743 1/20 0.44
PIK3CB P42338 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.35
IMPDH2 P12268 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK14 Q16539 1/20 0.33
NR4A2 P43354 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CYP19A1 P11511 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
ITGB2 P05107 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
SCHEMBL18697197 0.79 CYP2A6 (0.53) CYP2A6PRKCIPIK3CBMAOBALDH1A1
SCHEMBL30030079 0.79 PRKCI (0.55) CYP2A6PRKCIPIK3CBMAOBCYP1A2
SCHEMBL16122570 0.79 PRKCI (0.55) CYP2A6PRKCIPIK3CBMAOBCYP1A2
SCHEMBL14745903 0.78 CYP2A6 (0.51) CYP2A6PRKCIPIK3CBALDH1A1IMPDH2
SCHEMBL17494966 0.76 CYP2A6 (0.53) CYP2A6PRKCIPIK3CBALDH1A1IMPDH2
SCHEMBL18876201 0.74 PRKCI (0.50) CYP2A6PRKCIPIK3CBMAOBCYP1A2
SCHEMBL15899338 0.73 PRKCI (0.58) CYP2A6PRKCIPIK3CBMAOBCYP1A2
SCHEMBL31735655 0.73 PRKCI (0.48) CYP2A6PRKCIPIK3CBMAOBCYP1A2
SCHEMBL18853773 0.73 HTR2A (0.54) CYP2A6PRKCIPIK3CBMAOBCYP1A2
SCHEMBL18683804 0.72 PRKCI (0.60) CYP2A6PRKCIPIK3CBMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP CYP2A6 3494/4885PRKCI 2654/4885PIK3CB 1694/4885

“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.