SCHEMBL14745669

SCHEMBL14745669

C=CCOc1cc2c(cc1Br)cc(CO)n2C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PTPN1 P18031 2/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
RHEB Q15382 1/20 0.30
MAOA P21397 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LIG1 P18858 1/20 0.30

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
SCHEMBL14746105 0.82 MAPT (0.32) ALDH1A1LMNASMN1; SMN2RHEBMAOA
SCHEMBL14746148 0.79 MEN1 (0.34) MEN1KMT2APTPN1HTT
SCHEMBL14745786 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL15466707 0.71 HPGD (0.46) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL5003240 0.69 MAPK1 (0.43) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL23215286 0.67 PTPN1 (0.42) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL29745503 0.67 PTPN1 (0.42) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL14125964 0.66 GAA (0.42) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL6896739 0.66 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL29782302 0.65 HTR2C (0.49) MEN1KMT2AALDH1A1HPGDPTPN1

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 MEN1 4630/4885KMT2A 4450/4885ALDH1A1 3792/4885

“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.