Sugi Predict

Sugi Predict / Compounds / SCHEMBL4672332

SCHEMBL4672332

SCHEMBL4672332

Cc1ccc(Cn2nccc2C(=O)C=C(O)c2nc[nH]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPBWR1 P48145 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALOX5AP P20292 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
SCHEMBL4671756 0.89 MAOB (0.34) SMN1; SMN2ALDH1A1HTTLMNAMAPT
SCHEMBL4676380 0.89 NPBWR1 (0.43) SMN1; SMN2NPBWR1MCHR1MAPTKMT2A
SCHEMBL4679537 0.89 NR3C2 (0.32) ALDH1A1KDM4E
SCHEMBL4671755 0.89 NR3C2 (0.40) SMN1; SMN2ALDH1A1HTTNPC1LMNA
SCHEMBL4678591 0.89 KDM4E (0.38) KDM4ENPSR1
SCHEMBL4676643 0.83 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HTTNPBWR1MCHR1
SCHEMBL4678500 0.82 CA12 (0.44) SMN1; SMN2ALDH1A1HTTNPC1LMNA
SCHEMBL4674971 0.82 MARS1 (0.39) SMN1; SMN2ALDH1A1HTTMAPTKDM4E
SCHEMBL4671889 0.81 KDM5A (0.38) SMN1; SMN2ALDH1A1HTTLMNAKMT2A
SCHEMBL4674940 0.81 KLKB1 (0.42) ALDH1A1KDM4E

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 SMN1; SMN2 4107/4885ALDH1A1 980/4885HTT 1204/4885

“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.