SCHEMBL4675384

SCHEMBL4675384

O=C(O)C(O)=CC(=O)c1ccn(Sc2ccccc2)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLIN1 O60240 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PLIN5 Q00G26 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ABHD5 Q8WTS1 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
SCHEMBL4673279 0.74 ALKBH2 (0.35) PLIN1ALDH1A1LMNAMAPTHPGD
SCHEMBL4671228 0.72 HDAC1 (0.50) ALDH1A1LMNA
SCHEMBL4672840 0.72 PLIN1 (0.32) PLIN1ALDH1A1LMNAMAPTHPGD
SCHEMBL4672842 0.72 PLIN1 (0.32) PLIN1ALDH1A1LMNAMAPTHPGD
SCHEMBL4677344 0.71 AKR1C3 (0.50) ALDH1A1LMNAMAPTHTTNPSR1
SCHEMBL4672850 0.71 ALDH1A1 (0.37) PLIN1ALDH1A1LMNAMAPTHPGD
SCHEMBL4672848 0.71 ALDH1A1 (0.37) PLIN1ALDH1A1LMNAMAPTHPGD
SCHEMBL4674301 0.70 GPR52 (0.33) PLIN1ALDH1A1LMNAMAPTHPGD
SCHEMBL4675177 0.68 ALDH1A1 (0.41) ALDH1A1LMNAMAPTNPSR1
SCHEMBL4695940 0.68 KMT2A (0.50) ALDH1A1LMNAMAPTHPGDHTT

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 PLIN1 3204/4885ALDH1A1 980/4885LMNA 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.