SCHEMBL4675899

SCHEMBL4675899

COc1ccc(Cc2nc(C(=O)C=C(O)C(=O)O)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.61
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
GAA P10253 1/20 0.61
ALOX12 P18054 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 9/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 2/20 0.60
KMT2A Q03164 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.57
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 2/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL4675891 1.00 LMNA (0.61) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4671457 0.86 HDAC1 (0.47) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4671451 0.86 HDAC1 (0.47) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4678169 0.85 HDAC1 (0.60) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4678174 0.85 HDAC1 (0.60) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4677021 0.84 HDAC1 (0.45) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4677031 0.84 HDAC1 (0.45) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4680636 0.84 RAB9A (0.55) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4674190 0.84 HDAC1 (0.47) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4680640 0.84 RAB9A (0.55) LMNACYP1A2CYP3A4CYP2C9CYP2C19

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 7 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
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 659/4885CYP1A2 61/4885CYP3A4 4/4885

“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.