SCHEMBL4672001

SCHEMBL4672001

O=C(C=C(O)c1nc[nH]n1)c1occc1Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
MPO P05164 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL4677199 0.91 HRH1 (0.33) KDM4EALDH1A1POLBKMT2A
SCHEMBL4675408 0.89 TP53 (0.32) LMNAMAPK1L3MBTL1KDM4EMAPT
SCHEMBL4674634 0.89 HTR6 (0.31) MPO
SCHEMBL4675423 0.89 HRH1 (0.33) LMNAL3MBTL1MAPTKMT2AMPO
SCHEMBL4673663 0.89 KDM5A (0.35) ALDH1A1
SCHEMBL4674356 0.88 LMNA (0.32) LMNAALDH1A1HPGD
SCHEMBL4678670 0.88 HCAR2 (0.39) LMNAPOLBMPO
SCHEMBL4677327 0.88 LMNA (0.39) LMNAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL4671452 0.88 KDM5A (0.36) MAPK1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL4670775 0.86 LMNA (0.32) LMNAMAPK1CASP3SENP7SENP6

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 9 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
US-20030171406-A1 Medicinal compositions containing propenone derivatives SHIONOGI & CO., LTD (JP) 2003-09-11 US disclosed
EP-1295879-A1 MEDICINAL COMPOSITIONS CONTAINING PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2003-03-26 EP 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 (2 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 LMNA 659/4885MAPK1 2560/4885CASP3 2381/4885
US-20030171406-A1 Medicinal compositions containing propenone derivatives RPL17, EBP, SERPINB1 LMNA 790/4885MAPK1 3424/4885CASP3 1207/4885

“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.