SCHEMBL4671699

SCHEMBL4671699

CC(=O)c1ccc(CCCCCc2cc[nH]c2CC(=O)C(=O)c2nc[nH]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.34
PLA2G7 Q13093 1/20 0.34
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4A11 Q02928 2/20 0.32
CYP4F2 P78329 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G4B P0C869 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
SCHEMBL4674834 0.88 MAOB (0.31)
SCHEMBL4680981 0.88 KMT2A (0.38) HRH3GAAL3MBTL1KMT2A
SCHEMBL4672674 0.88 CES1 (0.37) PLA2G4B
SCHEMBL4673282 0.84 CES1 (0.42) HRH3HSD17B10PLA2G7THRATHRB
SCHEMBL4673751 0.83 KMT2A (0.38) HRH3GAAL3MBTL1KMT2A
SCHEMBL4674511 0.82 THRA (0.33) HRH3HSD17B10THRATHRB
SCHEMBL4673586 0.81 HRH3 (0.33) HRH3HSD17B10PLA2G7THRATHRB
SCHEMBL4675470 0.77 HDAC1 (0.34) L3MBTL1MEN1KMT2A
SCHEMBL4674656 0.77 SRD5A2 (0.32) GAAL3MBTL1KMT2A
SCHEMBL4673752 0.75 POLB (0.36) GAAMEN1KMT2A

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-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 HRH3 471/4885HSD17B10 241/4885GAA 1884/4885

“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.