SCHEMBL5899352

SCHEMBL5899352

O=C(Cc1cocc1Cc1ccccc1F)C(=O)c1nc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DAO P14920 1/20 0.32
ACHE P22303 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
ALDH1A1 P00352 3/20 0.31
ABL1 P00519 1/20 0.31
MAPT P10636 1/20 0.31
MAP4K1 Q92918 1/20 0.31
MPO P05164 1/20 0.31
MAOB P27338 2/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
HCAR3 P49019 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
SCHEMBL4675031 0.86 AR (0.36) ARMEN1KMT2ADAOALDH1A1
SCHEMBL4676402 0.86 AR (0.34) ARMEN1KMT2ARXFP1TAAR1
SCHEMBL4673191 0.86 AR (0.39) ARKMT2AABL1MAOB
SCHEMBL4677809 0.85 SLC6A2 (0.33) AR
SCHEMBL4679496 0.84 AR (0.40) ARTAAR1
SCHEMBL4678758 0.84 HIF1A (0.31) HIF1AALDH1A1MAPT
SCHEMBL4676076 0.84 AR (0.33) ARMEN1KMT2AHIF1ATAAR1
SCHEMBL4675755 0.83 MAPT (0.33) MAPTMPO
SCHEMBL4675789 0.82 ALDH1A1 (0.32) ARMEN1KMT2ATAAR1ALDH1A1
SCHEMBL4677073 0.82 ALDH1A1 (0.32) ARMEN1KMT2ATAAR1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 AR 10/4885MEN1 4663/4885KMT2A 597/4885

“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.