SCHEMBL4673098

SCHEMBL4673098

O=C(C=C(O)c1nc[nH]n1)c1ccoc1Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 7/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 3/20 0.32
LMNA P02545 3/20 0.32
PTPRA P18433 1/20 0.32
CYP1A1 P04798 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP1B1 Q16678 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4677650 0.87 TP53 (0.35) ALDH1A1MAPTRAB9ACYP1A1ABCB1
SCHEMBL4678415 0.84 L3MBTL1 (0.39) L3MBTL1ALDH1A1HTTMAPTPKM
SCHEMBL4672188 0.84 ALDH1A1 (0.34) L3MBTL1ALDH1A1HTTMAPTPKM
SCHEMBL4673027 0.83 TP53 (0.34) RAB9ALMNA
SCHEMBL4676607 0.82 LMNA (0.33) L3MBTL1ALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL4675787 0.82 ALDH1A1 (0.37) ALDH1A1MAPTRAB9ACYP1A1ABCB1
SCHEMBL4672457 0.81 TSHR (0.33) ALDH1A1HTTMAPTPKMSMN1; SMN2
SCHEMBL4671571 0.81 TP53 (0.44) MAPTSMN1; SMN2RAB9ALMNACYP1A1
SCHEMBL4675705 0.81 NPC1 (0.41) L3MBTL1ALDH1A1HTTMAPTPKM
SCHEMBL4674056 0.80 GPR52 (0.35) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1

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 L3MBTL1 1170/4885ALDH1A1 980/4885HTT 1204/4885

“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.