SCHEMBL14756995

SCHEMBL14756995

O=C(O)c1c(O)c2c([nH]c1=O)-c1ccc(N3CCCNCC3)cc1CCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
PDK2 Q15119 1/20 0.34
HTR6 P50406 2/20 0.34
USP8 P40818 2/20 0.34
DRD3 P35462 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB1 P08588 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
SLC16A3 O15427 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNA7 P36544 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 SCHEMBL14745701 0.99 ITGB3 (0.34) ITGB3ITGA2BCHRNB2CHRNA4PDK2
SCHEMBL14757277 0.98 ITGB3 (0.36) ITGB3ITGA2BPDK2HTR6DRD3
Hydrochloric Acid SCHEMBL14745580 0.97 ITGB3 (0.35) ITGB3ITGA2BPDK2HTR6DRD3
SCHEMBL14745291 0.92 IP6K1 (0.37) PDK2ALDH1A1HSD17B10SLC16A3KDM4E
SCHEMBL14745691 0.90 IP6K1 (0.37) ALDH1A1HSD17B10SLC16A3KDM4E
SCHEMBL14757002 0.88 CDK4 (0.39) ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL14746140 0.87 CDK4 (0.39) ALDH1A1HSD17B10
SCHEMBL14756986 0.86 CDK4 (0.38) ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL14746171 0.85 CDK4 (0.38) ALDH1A1HSD17B10
SCHEMBL14757281 0.85 CYP3A4 (0.34) USP2ALDH1A1TSHRHSD17B10SLC16A3

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 ITGB3 2911/4885ITGA2B 3858/4885CHRNB2 4874/4885

“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.