SCHEMBL4673142

SCHEMBL4673142

Cc1ccc(Cc2cscc2CC(=O)C(=O)c2nc[nH]n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RET P07949 1/20 0.31
MAPT P10636 1/20 0.31
KDR P35968 1/20 0.31
LDHA P00338 1/20 0.31
SRD5A2 P31213 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
AR P10275 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
SCHEMBL4671279 0.89 KMT2A (0.39) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL4673261 0.89 SAE1 (0.35) ALDH1A1LMNAMAPT
SCHEMBL4677425 0.88 RAD52 (0.31)
SCHEMBL4674589 0.88 MAPT (0.33) LMNARETMAPTKDR
SCHEMBL4676445 0.88 SLC6A2 (0.33) SMN1; SMN2
SCHEMBL4676570 0.87 LMNA (0.32) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4676404 0.86 MAPT (0.32) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL4675332 0.84 RET (0.31) RETMAPTKDRSRD5A2AR
SCHEMBL4671574 0.82 TP53 (0.37) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL4675412 0.82 TP53 (0.34) NPC1RAB9AMEN1LMNAKMT2A

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 NPC1 934/4885RAB9A 2021/4885MEN1 4663/4885

“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.