SCHEMBL4671192

SCHEMBL4671192

O=C(O)C(O)=CC(=O)c1cnn(Cc2ccccc2F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
SCD O00767 2/20 0.44
SCD5 Q86SK9 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.41
ALKBH1 Q13686 1/20 0.40
KLKB1 P03952 6/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
VNN1 O95497 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL4673770 0.83 KLKB1 (0.48) L3MBTL1SCD5KLKB1
SCHEMBL15155184 0.83 L3MBTL1 (0.64) ALDH1A1L3MBTL1MAPTPKMSCD
SCHEMBL4674509 0.80 LMNA (0.51) ALDH1A1MAPTLMNAKLKB1SMN1; SMN2
SCHEMBL4673045 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTPKMSCD
SCHEMBL4670984 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTPKMSCD
SCHEMBL27286140 0.79 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTPKMSCD
SCHEMBL4674992 0.79 KLKB1 (0.48) L3MBTL1SCDSCD5KLKB1
SCHEMBL4671170 0.78 CREBBP (0.47) ALDH1A1L3MBTL1MAPTLMNAKDM4C
SCHEMBL4677240 0.78 KDM4A (0.42) ALDH1A1L3MBTL1MAPTLMNAHPGD
SCHEMBL4677236 0.78 KDM4A (0.42) ALDH1A1L3MBTL1MAPTLMNAHPGD

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 7 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
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 ALDH1A1 980/4885L3MBTL1 1170/4885MAPT 205/4885

“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.