SCHEMBL4675302

SCHEMBL4675302

O=C(C=C(O)c1nc[nH]n1)c1ccc(CCC2CCCC2)o1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
BRS3 P32247 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TBK1 Q9UHD2 4/20 0.32
MIF P14174 1/20 0.32
RAB9A P51151 1/20 0.32
CEL P19835 1/20 0.32
DHFR P00374 1/20 0.32
LMNA P02545 3/20 0.32
LNPEP Q9UIQ6 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL4672828 0.89 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AGAABRS3
SCHEMBL4671985 0.86 TDP1 (0.32) KMT2ARAB9ALMNA
SCHEMBL4671760 0.81 MEN1 (0.35) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL4678961 0.79 PTGER1 (0.36) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4678600 0.78 HSD17B10 (0.41) ALDH1A1MEN1KMT2AGAARAB9A
SCHEMBL4672893 0.78 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL4671675 0.77 LMNA (0.34) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4676637 0.77 ELANE (0.33) ALDH1A1GAA
S-1360 SCHEMBL10070153 0.77 CYP1A2 (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
S-1360 SCHEMBL3221454 0.77 CYP1A2 (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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 ALDH1A1 980/4885MEN1 4663/4885KMT2A 597/4885

“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.