SCHEMBL4672194

SCHEMBL4672194

O=C(Cc1occc1Cc1ccccn1)C(=O)c1nc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
PKM P14618 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4673100 0.91 L3MBTL1 (0.34) L3MBTL1ALDH1A1LMNARAB9ANPC1
SCHEMBL4677202 0.85 HCAR2 (0.31) SMN1; SMN2
SCHEMBL4676492 0.84 L3MBTL1 (0.33) L3MBTL1ALDH1A1LMNARAB9ANPC1
SCHEMBL4677073 0.83 ALDH1A1 (0.32) ALDH1A1MAPTTSHRTAAR1
SCHEMBL4671785 0.83 PDE3B (0.34) L3MBTL1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL4674358 0.82 CYP11B1 (0.33) ALDH1A1LMNARAB9ANPC1
SCHEMBL4672460 0.82 TSHR (0.36) ALDH1A1LMNARAB9ANPC1TDP1
SCHEMBL4673131 0.82 RAB9A (0.37) ALDH1A1LMNARAB9ANPC1TDP1
SCHEMBL4676103 0.82 RAB9A (0.36) ALDH1A1LMNARAB9ANPC1TDP1
SCHEMBL4675425 0.81 POLB (0.33) L3MBTL1LMNARAB9ANPC1TDP1

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 L3MBTL1 1170/4885ALDH1A1 980/4885LMNA 659/4885

“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.