SCHEMBL4679243

SCHEMBL4679243

O=C(C=C(O)c1nc[nH]n1)c1coc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
CHEK2 O96017 5/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
SENP2 Q9HC62 1/20 0.31
SENP1 Q9P0U3 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL4671834 0.90 NFE2L2 (0.33) MEN1KMT2ALMNANPC1CASP3
SCHEMBL4676117 0.89 PARP10 (0.32) CHEK2
SCHEMBL4671237 0.89 NR4A2 (0.38) CHEK2RECQLNPC1RAB9AMAPT
SCHEMBL4674635 0.89 LMNA (0.36) CHEK2LMNAMAPTKDM4E
SCHEMBL4674128 0.88 MAPT (0.37) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL4673558 0.83 KMT2A (0.34) MEN1KMT2ARECQLNPC1RAB9A
SCHEMBL4671086 0.83 MAPT (0.39) CDH1CTNNB1TCF7L2MAPTKDM4E
SCHEMBL4673485 0.82 LMNA (0.38) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4675663 0.82 CDH1 (0.38) CDH1CTNNB1TCF7L2CHEK2MEN1
SCHEMBL4672298 0.81 SMN1; SMN2 (0.34) LMNAKDM4EL3MBTL1

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 CDH1 2472/4885CTNNB1 218/4885TCF7L2 2250/4885

“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.