SCHEMBL14745116

SCHEMBL14745116

CCc1c(-c2ccc3c(c2)c(C#N)c(N2CCCC2)n3C)nc(OCc2ccccc2)c(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 2/20 0.39
CNR1 P21554 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
XDH P47989 1/20 0.34
SRD5A2 P31213 1/20 0.33
ADORA1 P30542 2/20 0.33
PPARG P37231 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL14745357 0.93 AS3MT (0.38) AS3MTCNR1MEN1KMT2ASQOR
SCHEMBL14758209 0.88 MAPK8 (0.36) MEN1KMT2AHPGDALDH1A1TSHR
SCHEMBL14745778 0.81 IMPDH2 (0.42) CNR1XDH
SCHEMBL14745735 0.81 CNR1 (0.40) AS3MTCNR1SQORHPGDALDH1A1
SCHEMBL14745658 0.77 CNR1 (0.39) CNR1KDM4ESRD5A2PPARG
SCHEMBL14745159 0.74 IMPDH2 (0.42) CNR1HPGDLMNATDP1
SCHEMBL14744827 0.72 MEN1 (0.34) MEN1KMT2AALDH1A1KDM4E
SCHEMBL14741025 0.72 CNR1 (0.48) CNR1ALDH1A1HSD17B10LMNATDP1
SCHEMBL14744837 0.70 CNR1 (0.44) CNR1HPGDALDH1A1TSHRHSD17B10
SCHEMBL14745654 0.69 CNR1 (0.41) CNR1HPGDALDH1A1TSHRHSD17B10

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
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP AS3MT 1865/4885CNR1 4586/4885MEN1 4630/4885

“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.