SCHEMBL19384201

SCHEMBL19384201

OB(O)c1cccc(C2CCOC2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MGLL Q99685 2/20 0.38
HTR6 P50406 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
OPRL1 P41146 1/20 0.35
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL32669062 0.90 ENPP2 (0.42) ENPP2KDM4EALDH1A1MGLLOPRL1
SCHEMBL29954777 0.86 ENPP2 (0.45) ENPP2KDM4EALDH1A1MGLLCA4
SCHEMBL3784993 0.82 ENPP2 (0.48) ENPP2KDM4EALDH1A1MGLLCA4
SCHEMBL27054112 0.79 TAAR1 (0.44) PRMT5WDR77CTSDBACE1
SCHEMBL14685875 0.79 TAAR1 (0.44) PRMT5WDR77CTSDBACE1
SCHEMBL3783525 0.79 HDAC4 (0.51) ENPP2KDM4EALDH1A1MGLLCA4
SCHEMBL3786808 0.79 HDAC4 (0.47) ENPP2KDM4EALDH1A1MGLLCA4
SCHEMBL3784746 0.77 KMO (0.53) ENPP2KDM4EALDH1A1MGLLHDAC4
SCHEMBL23715083 0.76 KDM1A (0.44) HTR6PRMT5WDR77OPRL1HDAC4
SCHEMBL17247328 0.76 PRMT5 (0.41) KDM4EALDH1A1HTR6PRMT5WDR77

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-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
EP-3433255-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 ENPP2 446/4885KDM4E 3706/4885ALDH1A1 1222/4885
US-20190112306-A1 NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS ITGB6, ITGA6, GP6 ENPP2 454/4885KDM4E 3675/4885ALDH1A1 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.