SCHEMBL4675378

SCHEMBL4675378

COc1cccc(Oc2coc(CC(=O)C(=O)c3nc[nH]n3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MTNR1B P49286 11/20 0.38
MTNR1A P48039 6/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4671058 0.90 MEN1 (0.34) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL4673357 0.88 KDM4E (0.36) LMNAKMT2ACES1KDM4E
SCHEMBL4675463 0.88 FKBP1A (0.37) KDM4E
SCHEMBL4673382 0.85 KMT2A (0.38) LMNAMTNR1BMEN1KMT2ANPC1
SCHEMBL4676489 0.85 KDM4E (0.42) MEN1KMT2ARAB9AKDM4EPOLB
SCHEMBL4675385 0.84 KDM4C (0.38) LMNAMTNR1BMTNR1A
SCHEMBL4678799 0.83 LMNA (0.39) LMNAMTNR1BMTNR1AMEN1KMT2A
SCHEMBL4676273 0.83 SIRT2 (0.38) LMNAMTNR1BMTNR1A
SCHEMBL4673491 0.82 LMNA (0.38) LMNAMTNR1BMTNR1AMEN1KMT2A
SCHEMBL4673900 0.82 RAB9A (0.40) LMNANPC1RAB9APOLB

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-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 LMNA 659/4885MTNR1B 561/4885MTNR1A 273/4885

“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.