SCHEMBL14756993

SCHEMBL14756993

CC1Cc2cc(N3CCC(N(C)C)C3)ccc2-c2[nH]c(=O)c(C(=O)O)c(O)c21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 10/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
CHEK2 O96017 2/20 0.34
HTR2B P41595 2/20 0.32
HTR6 P50406 2/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
NAPEPLD Q6IQ20 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
Hydrochloric Acid SCHEMBL14746130 0.99 KCNH2 (0.41) KCNH2MCHR1PDGFRBFGFR1KDR
SCHEMBL14747101 0.92 KCNH2 (0.41) KCNH2MCHR1PDGFRBFGFR1KDR
Hydrochloric Acid SCHEMBL14745484 0.91 KCNH2 (0.41) KCNH2MCHR1PDGFRBFGFR1KDR
Hydrochloric Acid SCHEMBL18628154 0.86 KCNH2 (0.40) KCNH2MCHR1PDGFRBFGFR1KDR
SCHEMBL14757346 0.86 KCNH2 (0.39) KCNH2MCHR1PDGFRBFGFR1KDR
SCHEMBL14741342 0.86 KIF11 (0.38)
Hydrochloric Acid SCHEMBL14746147 0.85 KCNH2 (0.38) KCNH2MCHR1PDGFRBFGFR1KDR
SCHEMBL17495070 0.82 KCNH2 (0.38) KCNH2MCHR1PDGFRBFGFR1KDR
SCHEMBL14757183 0.82 KCNH2 (0.40) KCNH2MCHR1PDGFRBFGFR1KDR
SCHEMBL14757030 0.82

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 6 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-2016039938-A1 POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US 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 KCNH2 3306/4885MCHR1 4817/4885PDGFRB 4699/4885

“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.