SCHEMBL14745786

SCHEMBL14745786

C=CCOc1cc2c(cc1Br)cc(C(=O)OCC)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 4/20 0.38
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 1/20 0.37
MAOA P21397 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL14746223 0.84 ALDH1A1 (0.41) ALDH1A1MAPTPKMGAAKMT2A
SCHEMBL28804014 0.77 PHGDH (0.42) ALDH1A1MAPTPKMGAAKMT2A
SCHEMBL14745669 0.76 MEN1 (0.34) ALDH1A1GAAKMT2AMEN1MAOA
SCHEMBL31412989 0.75 SRD5A1 (0.53) ALDH1A1MAPTSMN1; SMN2KDM4ESRD5A1
SCHEMBL23049660 0.74 PHGDH (0.47) ALDH1A1MAPTPKMGAAKMT2A
SCHEMBL14746265 0.74 KDM4E (0.52) ALDH1A1MAPTPKMGAAKMT2A
SCHEMBL22346624 0.72 QRFPR (0.45) ALDH1A1MAPTPKMGAAKMT2A
SCHEMBL6753155 0.71 MCL1 (0.49) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL31435629 0.71 MCL1 (0.64) ALDH1A1MAPTMAOASMN1; SMN2KDM4E
SCHEMBL1096993 0.71 MCL1 (0.64) ALDH1A1MAPTMAOASMN1; SMN2KDM4E

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 5 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
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO 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 ALDH1A1 3792/4885MAPT 4110/4885PKM 4051/4885

“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.