SCHEMBL4673264

SCHEMBL4673264

CC(=O)c1ccc(Cc2cccc(Cl)c2)o1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
TP53 P04637 4/20 0.47
THRB P10828 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
PTGER1 P34995 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL4672555 0.84 KMT2A (0.53) LMNATP53MAOBMAPTPOLB
SCHEMBL4674508 0.83 ALDH1A1 (0.46) TP53THRBMAOAMAOBMAPT
SCHEMBL4673140 0.82 HTT (0.49) LMNATP53MAOAMAOBMAPT
SCHEMBL756355 0.82 LMNA (0.56) LMNATP53MAPTPTGER1
SCHEMBL4675887 0.81 SMN1; SMN2 (0.48) LMNATP53POLB
SCHEMBL755594 0.79 P2RX3 (0.44) LMNATP53MAPTPOLB
SCHEMBL4485406 0.77 TAAR1 (0.51) MAOAMAOB
SCHEMBL1219840 0.76 SLC9A1 (0.63) LMNATP53THRBMAPTPOLB
SCHEMBL4676363 0.75 ALDH1A1 (0.57) LMNATP53MAOBMAPTPOLB
SCHEMBL13351840 0.75 HTT (0.53) LMNATP53

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 9 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-6831177-B1 Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives SHIONOGI & CO., LTD. (JP) 2004-12-14 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-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP 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 659/4885TP53 999/4885THRB 386/4885

“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.