SCHEMBL4677976

SCHEMBL4677976

O=C(C=C(O)c1nc[nH]n1)c1cocc1Sc1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LDHA P00338 6/20 0.32
LDHB P07195 4/20 0.32
HAO1 Q9UJM8 1/20 0.31
MAPT P10636 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
SCHEMBL4672577 0.86 HAO1 (0.35) MEN1KMT2AHAO1MAPT
SCHEMBL4671054 0.86 KDM4E (0.34) MAPT
SCHEMBL4673343 0.84 HAO1 (0.34) MEN1KMT2AHAO1
SCHEMBL4675243 0.83 MEN1 (0.35) HPGDMEN1KMT2AMAPT
SCHEMBL4670667 0.82 PKM (0.37) PKMHPGDMEN1KMT2AHAO1
SCHEMBL4670523 0.81 PKM (0.35) PKMHPGDMEN1KMT2AHAO1
SCHEMBL4676259 0.80 CYP2C9 (0.32) HPGD
SCHEMBL4670808 0.80 ALDH1A1 (0.33) HPGDMAPT
SCHEMBL4676640 0.80 PTPN11 (0.41) PKMHPGDMEN1KMT2AHAO1
SCHEMBL4676769 0.80 CXCL8 (0.36) PKMMEN1KMT2AMAPT

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 PKM 2609/4885HPGD 2816/4885MEN1 4663/4885

“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.