SCHEMBL4678074

SCHEMBL4678074

O=C(Cc1cc(Cc2ccc(Cl)cc2)co1)C(=O)c1nc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
DAO P14920 2/20 0.32
APLNR P35414 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAOB P27338 1/20 0.31
POLB P06746 2/20 0.31
SNCA P37840 1/20 0.31
SMPD1 P17405 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PTGER1 P34995 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 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
SCHEMBL4672302 0.92 LMNA (0.33) LMNAL3MBTL1DAOAPLNRKDM4C
SCHEMBL4673321 0.89 NPC1 (0.35) POLBGAA
SCHEMBL4678211 0.89 ALDH1A1 (0.31) TDP1
SCHEMBL4673439 0.89 L3MBTL1 (0.34) LMNAL3MBTL1DAOPOLBTDP1
SCHEMBL4679151 0.89 IDH1 (0.36) LMNAL3MBTL1DAO
SCHEMBL4673041 0.88 HCAR2 (0.38) LMNASNCASMN1; SMN2
SCHEMBL4676933 0.88 POLB (0.32) LMNAPOLB
SCHEMBL4671754 0.87 SAE1 (0.36) L3MBTL1MAOBPOLBSMN1; SMN2
SCHEMBL4674507 0.87 KMT2A (0.40) LMNAMAOB
SCHEMBL4671982 0.86 SRD5A2 (0.35) APLNRKDM4CMAOBSNCA

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 LMNA 659/4885L3MBTL1 1170/4885DAO 661/4885

“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.