SCHEMBL4674590

SCHEMBL4674590

COc1ccc(Cc2nc(C(=O)C=C(O)c3nc[nH]n3)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 2/20 0.49
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 2/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL4671891 0.90 LMNA (0.40) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4676246 0.89 HDAC1 (0.50) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4677678 0.88 LMNA (0.39) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4674380 0.88 RAB9A (0.47) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4674608 0.88 HDAC1 (0.40) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4671664 0.87 HDAC1 (0.40) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4674861 0.85 LMNA (0.52) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5899376 0.82 ALDH1A1 (0.39) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4673102 0.82 PARP1 (0.39) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4677254 0.81 MAPK8 (0.36) MAPTLMNASMN1; SMN2CYP1A2CYP3A4

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 205/4885LMNA 659/4885SMN1; SMN2 4107/4885

“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.