SCHEMBL4674898

SCHEMBL4674898

O=C(Cc1ccc(Cc2ccccn2)[nH]1)C(=O)c1nc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.34
PARP10 Q53GL7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4679269 0.84 HCAR2 (0.39) HRH3LMNATAAR1
SCHEMBL4675069 0.82 FFAR2 (0.37) HRH3HRH4LMNATDP1IDO1
SCHEMBL4677147 0.82 HRH3 (0.40) HRH3HRH4LMNATDP1IDO1
SCHEMBL5899381 0.82 GABRA1 (0.37) HRH3HRH4LMNATDP1IDO1
SCHEMBL4676103 0.81 RAB9A (0.36) HRH3HRH4LMNATDP1IDO1
SCHEMBL4676263 0.81 HRH4 (0.36) HRH3HRH4LMNASMN1; SMN2TSHR
SCHEMBL4680139 0.80 ALDH1A1 (0.36) HRH3HRH4LMNATDP1SMN1; SMN2
SCHEMBL4674021 0.80 SMN1; SMN2 (0.36) HRH3HRH4LMNATDP1SMN1; SMN2
SCHEMBL4677343 0.80 BRS3 (0.36) LMNAPARP10ALDH1A1TAAR1
SCHEMBL4672460 0.79 TSHR (0.36) HRH3HRH4LMNATDP1IDO1

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.