SCHEMBL4149747

SCHEMBL4149747

Cc1nccc(O)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4898749 0.81 L3MBTL1 (0.53) LMNAGAAL3MBTL1MAPK1MAPT
SCHEMBL6035640 0.81 LMNA (0.43) LMNAHPGDGAAL3MBTL1CYP1A2
SCHEMBL9682836 0.80 LMNA (0.45) LMNAHPGDGAAL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL10371366 0.79 LMNA (0.44) LMNAHPGDGAAL3MBTL1MAPK1
SCHEMBL5583648 0.79 BCHE (0.50) LMNAGAAL3MBTL1MAPK1MAPT
SCHEMBL10247056 0.79 LMNA (0.47) LMNAHPGDGAAL3MBTL1CYP1A2
SCHEMBL16348040 0.77 LMNA (0.46) LMNAHPGDGAAL3MBTL1CYP1A2
SCHEMBL6034939 0.77 PRMT5 (0.47) LMNAHPGDGAAPOLBPTPN1
SCHEMBL26043758 0.77 LMNA (0.46) LMNAHPGDGAAL3MBTL1CYP1A2
SCHEMBL27488692 0.76 HTR1A (0.61) LMNAHPGDL3MBTL1CYP1A2PTGS1

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
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
CN-1930161-A HIV integrase inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2007-03-14 CN disclosed
EP-1725554-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2006-11-29 EP disclosed
WO-2005087766-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-09-22 WO disclosed
US-5620995-A Substituted heterocyclic carboxyamides, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
EP-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
CN-1126203-A Substituted heterocyclic carboxamides, their preparation and their use as pharmaceuticals HOECHST AG (DE) 1996-07-10 CN disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 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 (2 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP LMNA 2868/4885HPGD 1227/4885GAA 912/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR LMNA 2936/4885HPGD 1236/4885GAA 1323/4885

“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.