SCHEMBL4675827

SCHEMBL4675827

Cc1ccc(Sc2ccc(C(=O)C=C(O)c3nc[nH]n3)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.31
PTPN11 Q06124 1/20 0.31
PKM P14618 1/20 0.31
NTSR1 P30989 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
POLB P06746 1/20 0.30
ALOX12 P18054 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
SCHEMBL4672384 0.89 ALDH1A1 (0.41) MAPTALDH1A1KMT2AHPGDKDM4E
SCHEMBL4670829 0.89 LMNA (0.37) MAPTALDH1A1NPSR1MAPK1KMT2A
SCHEMBL4673971 0.89 MAPT (0.31) MAPTMAPK1KDM4ELMNAPKM
SCHEMBL4672389 0.89 PTPN11 (0.31) MAPTMAPK1KDM4EPTPN11PKM
SCHEMBL4674442 0.89 SMN1; SMN2 (0.40) MAPTALDH1A1NPSR1MAPK1KMT2A
SCHEMBL4673231 0.89 MAPT (0.31) MAPTMAPK1KDM4ELMNAPKM
SCHEMBL4673374 0.87 MAOA (0.34) ALDH1A1KDM4E
SCHEMBL4672873 0.82 ALDH1A1 (0.41) MAPTALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL4673621 0.82 MGAM (0.42) MAPTALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL4672707 0.82 PTPN11 (0.46) MAPTALDH1A1KMT2AHPGDKDM4E

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 MAPT 205/4885ALDH1A1 980/4885NPSR1 937/4885

“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.