SCHEMBL1347464

SCHEMBL1347464

O=CNc1cccc(OBOc2cccc(NC=O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
STAT1 P42224 1/20 0.35
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NLRP3 Q96P20 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL29959920 0.79 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1HSD17B10NPC1
SCHEMBL1188678 0.79 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1HSD17B10NPC1
SCHEMBL6411329 0.78 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL12129057 0.77 ALDH1A1 (0.67) ALDH1A1MAPK1HSD17B10NPC1MEN1
Hydrochloric Acid SCHEMBL27545718 0.76 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1HSD17B10NPC1
SCHEMBL17005531 0.76 ALDH1A1 (0.48) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL24861212 0.75 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1HSD17B10NPC1
SCHEMBL8705839 0.75 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1HSD17B10NPC1
SCHEMBL1188518 0.75 SLC22A12 (0.49) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL12882290 0.75 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1HSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
EP-2197835-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS Prosidion Limited (GB) 2010-06-23 EP disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 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 (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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 ALDH1A1 477/4885TSHR 3156/4885MAPK1 3567/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 ALDH1A1 594/4885TSHR 2938/4885MAPK1 4013/4885
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 ALDH1A1 751/4885TSHR 183/4885MAPK1 2395/4885

“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.