SCHEMBL4677694

SCHEMBL4677694

O=C(Cc1cc[nH]c1Cc1ccccn1)C(=O)c1nc[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
NPC1 O15118 1/20 0.32
IDO1 P14902 1/20 0.31
POLB P06746 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
SCHEMBL4677577 0.91 HRH3 (0.35) HRH3HRH4LMNATDP1TSHR
SCHEMBL4674876 0.85 SLC6A2 (0.35) SMN1; SMN2ALDH1A1TAAR1
SCHEMBL4675622 0.83 HRH4 (0.34) HRH3HRH4LMNATDP1TSHR
SCHEMBL4676103 0.83 RAB9A (0.36) HRH3HRH4LMNATDP1TSHR
SCHEMBL4677169 0.82 AR (0.33) LMNAALDH1A1TAAR1
SCHEMBL4675600 0.82 HRH4 (0.31) HRH3HRH4LMNASMN1; SMN2
SCHEMBL4672460 0.81 TSHR (0.36) HRH3HRH4LMNATDP1TSHR
SCHEMBL4673131 0.81 RAB9A (0.37) HRH3HRH4LMNATDP1TSHR
SCHEMBL4673100 0.79 L3MBTL1 (0.34) HRH3HRH4LMNATDP1TSHR
SCHEMBL4671958 0.79 SMN1; SMN2 (0.34) HRH3HRH4LMNATDP1TSHR

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-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
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 471/4885HRH4 479/4885LMNA 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.