SCHEMBL4677006

SCHEMBL4677006

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2ccccn2)co1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 1/20 0.32
PTGER4 P35408 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
IDO1 P14902 1/20 0.32
PTPRA P18433 1/20 0.32
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 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
SCHEMBL4679147 0.88 PTGER4 (0.35) L3MBTL1MAPK1PTGER4LMNA
SCHEMBL4675272 0.84 CES1 (0.35) POLBTSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL4676930 0.84 CYP1A2 (0.32) POLBTSHRALDH1A1RAB9AMAPT
SCHEMBL4670907 0.82 BRS3 (0.35) RAB9AKMT2APTGER4MEN1KDM4E
SCHEMBL4676464 0.82 BRS3 (0.35) ALDH1A1RAB9APTGER4MAPTNPC1
SCHEMBL5899363 0.82 ALDH1A1 (0.34) POLBTSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL4680137 0.82 ALDH1A1 (0.43) POLBTSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL4678071 0.81 KDM4C (0.35) SMN1; SMN2L3MBTL1LMNACYP1A2CYP2D6
SCHEMBL4673435 0.81 LMNA (0.36) ALDH1A1L3MBTL1KMT2AMAPK1LMNA
SCHEMBL4678209 0.81 ALDH1A1 (0.30) TSHRALDH1A1TDP1

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 5 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-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 POLB 58/4885TSHR 1614/4885ALDH1A1 980/4885

“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.