SCHEMBL4671607

SCHEMBL4671607

O=C(C=C(O)c1nn[nH]n1)c1cnn(Cc2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
CREBBP Q92793 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KLKB1 P03952 3/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TCF4 P15884 1/20 0.37
CTNNB1 P35222 1/20 0.37
HDAC2 Q92769 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HDAC3 O15379 1/20 0.35
JAK2 O60674 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL4676019 0.91 KLKB1 (0.40) LMNAMAPTHSD17B10KLKB1ALDH1A1
SCHEMBL4674490 0.90 KLKB1 (0.43) CREBBPHSD17B10KLKB1ALDH1A1SMN1; SMN2
SCHEMBL4676023 0.90 KLKB1 (0.42) HSD17B10KLKB1ALDH1A1
SCHEMBL4674633 0.89 HSD17B10 (0.40) LMNAMAPTHSD17B10KLKB1ALDH1A1
SCHEMBL4673744 0.88 KLKB1 (0.38) LMNAHSD17B10KLKB1ALDH1A1
SCHEMBL4672655 0.88 KLKB1 (0.43) KLKB1
SCHEMBL4674679 0.87 L3MBTL1 (0.44) HSD17B10KLKB1RAB9A
SCHEMBL4670984 0.84 ALDH1A1 (0.46) LMNAMAPTKLKB1ALDH1A1MAPK1
SCHEMBL4672069 0.83 LMNA (0.43) LMNAMAPTCREBBPHSD17B10KLKB1
SCHEMBL4671844 0.82 CA12 (0.36) ALDH1A1RAB9A

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 LMNA 659/4885MAPT 205/4885CREBBP 3384/4885

“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.