SCHEMBL3005716

SCHEMBL3005716

NC(=O)c1ccc(OCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 1.00
MEN1 O00255 1/20 0.76
LMNA P02545 1/20 0.76
KMT2A Q03164 1/20 0.76
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPK1 P28482 1/20 0.63

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
SCHEMBL6302832 0.93 TBXAS1 (0.87) TBXAS1MEN1LMNAKMT2A
SCHEMBL9868280 0.91 TBXAS1 (0.83) TBXAS1MEN1LMNAKMT2AKDM4E
Hydrochloric Acid SCHEMBL9270077 0.90 TBXAS1 (0.81) TBXAS1MEN1LMNAKMT2AKDM4E
Dazoxiben SCHEMBL11554 0.87 TBXAS1 (1.00) TBXAS1MEN1LMNAKMT2AKDM4E
Dazoxiben SCHEMBL4427771 0.86 TBXAS1 (0.97) TBXAS1MEN1LMNAKMT2AKDM4E
SCHEMBL8690308 0.86 TBXAS1 (0.78) TBXAS1MEN1LMNAKMT2AKDM4E
SCHEMBL10749747 0.86 TBXAS1 (1.00) TBXAS1MEN1LMNAKMT2AKDM4E
Dazoxiben SCHEMBL564080 0.86 TBXAS1 (1.00) TBXAS1MEN1LMNAKMT2A
SCHEMBL7468628 0.84 TBXAS1 (0.80) TBXAS1MEN1LMNAKMT2AKDM4E
SCHEMBL10747686 0.84 TBXAS1 (1.00) TBXAS1MEN1LMNAKMT2AKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 US disclosed
US-4636500-A N-(phenoxyalkyl)imidazoles as selective inhibitors of the thromboxane synthetase enzyme and pharmaceutical compositions thereof PFIZER INC. (US) 1987-01-13 US disclosed
US-4602016-A N-(phenoxyalkyl)imidazoles as selective inhibitors of the thromboxane synthetase enzyme and pharmaceutical compositions thereof PFIZER INC. (US) 1986-07-22 US 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 (3 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 TBXAS1 545/4885MEN1 2641/4885LMNA 3137/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 TBXAS1 545/4885MEN1 2641/4885LMNA 3137/4885
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A TBXAS1 500/4885MEN1 4049/4885LMNA 524/4885

“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.