SCHEMBL4675304

SCHEMBL4675304

O=C(Cc1ccc(CCC2CCCC2)o1)C(=O)c1nc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.34
LMNA P02545 3/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH4 Q9H3N8 3/20 0.31
HRH3 Q9Y5N1 3/20 0.31
DAO P14920 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
IDO1 P14902 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALPL P05186 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
SCHEMBL4672832 0.88 KDM5B (0.32) CELLMNATP53HTTHRH4
SCHEMBL4671988 0.84
SCHEMBL4676111 0.78 ALOX5 (0.37) LMNATP53TSHRSMN1; SMN2L3MBTL1
SCHEMBL4671765 0.77 DAO (0.35) HTTSMN1; SMN2DAOALDH1A1TDP1
SCHEMBL4678032 0.77 SORT1 (0.32) HTT
SCHEMBL4675310 0.76 ALDH1A1 (0.49) TP53TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL4672900 0.75 HTT (0.33) HTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL4676887 0.74 HTT (0.34) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
SCHEMBL4673626 0.74 ALDH1A1 (0.50) LMNATP53TSHRHTTSMN1; SMN2
SCHEMBL4671677 0.74 LMNA (0.33) LMNATSHRMAPK1HRH4HRH3

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 CEL 1581/4885LMNA 659/4885TP53 999/4885

“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.