SCHEMBL4674077

SCHEMBL4674077

COc1ccc(Cc2csc(CC(=O)C(=O)c3nc[nH]n3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC5A2 P31639 1/20 0.36
LTA4H P09960 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35
MAPK9 P45984 1/20 0.35
PARP1 P09874 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4673106 0.92 SLC5A2 (0.40) SAE1UBA2POLBLMNAGAA
SCHEMBL4673531 0.89 LTA4H (0.32) POLBLMNAGAACYP1A2CYP3A4
SCHEMBL4671419 0.87 KMT2A (0.40) LMNAKMT2AMAPTALDH1A1
SCHEMBL4673251 0.87 LMNA (0.34) POLBLMNAKMT2AMEN1MAPT
SCHEMBL4678634 0.87 MGMT (0.33) CYP3A4ALDH1A1
SCHEMBL4671873 0.87 LTB4R (0.39) LMNA
SCHEMBL4677411 0.86 POLB (0.32) POLBLMNACYP1A2CYP3A4CYP2C9
SCHEMBL4675344 0.84 MAPK8 (0.45) SAE1UBA2POLBLMNAGAA
SCHEMBL4672931 0.84 POLB (0.41) SAE1UBA2POLBLMNAGAA
SCHEMBL4671754 0.81 SAE1 (0.36) SAE1UBA2POLBLTA4HKMT2A

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 SAE1 2206/4885UBA2 1072/4885POLB 58/4885

“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.