SCHEMBL19384591

SCHEMBL19384591

CO[C@H](C)COc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.50
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 4/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SOD1 P00441 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL19384211 1.00 MAOB (0.50) MAOBHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL19384624 1.00 MAOB (0.50) MAOBHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL29985682 0.86 MAOB (0.50) MAOBHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL20535111 0.86 MAOB (0.50) MAOBHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL20535109 0.86 MAOB (0.50) MAOBHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL8798550 0.84 MAOB (0.51) MAOBHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL4349792 0.84 MAOB (0.55) MAOBHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL12261469 0.83 MAOB (0.47) MAOBHSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL19404122 0.81 ADRB2 (0.55) MAOBKMT2AHTTL3MBTL1
SCHEMBL19404160 0.81 ADRB2 (0.55) MAOBKMT2AHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206758-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-07-08 US disclosed
US-20210206758-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-07-08 US disclosed
EP-3433254-B1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-17 EP disclosed
EP-3433254-B1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-17 EP disclosed
US-20190112306-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-18 US disclosed
US-20190112306-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-18 US disclosed
EP-3433254-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-01-30 EP disclosed
WO-2017162572-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-28 WO disclosed
WO-2017162570-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-28 WO disclosed
WO-2017162570-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-28 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 (2 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-20210206758-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS ITGB6, ITGA6, ITGB3 MAOB 3037/4885HSD17B10 4552/4885ALDH1A1 1222/4885
US-20190112306-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS ITGB6, ITGA6, GP6 MAOB 3058/4885HSD17B10 4532/4885ALDH1A1 1251/4885

“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.