SCHEMBL4676103

SCHEMBL4676103

O=C(Cc1c[nH]cc1Cc1ccccn1)C(=O)c1nc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
TSHR P16473 1/20 0.34
PNP P00491 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
IDO1 P14902 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
SCHEMBL4673131 0.86 RAB9A (0.37) RAB9ALMNANPC1TDP1SMN1; SMN2
SCHEMBL4672460 0.86 TSHR (0.36) RAB9ALMNANPC1TDP1SMN1; SMN2
SCHEMBL4680088 0.84 SLC6A2 (0.37) SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL4677577 0.83 HRH3 (0.35) RAB9ALMNANPC1TDP1SMN1; SMN2
SCHEMBL4677694 0.83 HRH3 (0.38) RAB9ALMNANPC1TDP1SMN1; SMN2
SCHEMBL4676479 0.82 RAB9A (0.35) RAB9ALMNANPC1TDP1SMN1; SMN2
SCHEMBL4674913 0.82 SMN1; SMN2 (0.34) RAB9ALMNANPC1TDP1SMN1; SMN2
SCHEMBL4671958 0.82 SMN1; SMN2 (0.34) RAB9ALMNATDP1SMN1; SMN2HRH3
SCHEMBL4672194 0.82 L3MBTL1 (0.34) RAB9ALMNANPC1TDP1SMN1; SMN2
SCHEMBL4673100 0.82 L3MBTL1 (0.34) RAB9ALMNANPC1TDP1SMN1; SMN2

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 RAB9A 2021/4885LMNA 659/4885NPC1 934/4885

“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.