SCHEMBL4295697

SCHEMBL4295697

[O]c1ccc(-n2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
ENPP2 Q13822 1/20 0.64
MKNK1 Q9BUB5 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
NOTUM Q6P988 1/20 0.64
CYP3A4 P08684 4/20 0.63
MEN1 O00255 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
BAZ2B Q9UIF8 1/20 0.59
ADH5 P11766 1/20 0.56
HTT P42858 1/20 0.54
CYP51A1 Q16850 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
CYP2A6 P11509 1/20 0.52
CYP19A1 P11511 2/20 0.52

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
SCHEMBL2532397 0.89 LMNA (0.78) LMNAMAPTENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL28701756 0.86 LMNA (0.75) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2533488 0.82 TSHR (0.84) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL3250899 0.79 CYP3A4 (0.71) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL209879 0.79 MAPT (0.60) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL8288350 0.79 MAPT (0.60) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2234254 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL8108194 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL17672944 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL872661 0.78 NOTUM (1.00) LMNAMAPTENPP2MKNK1MKNK2

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US claimed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor BARTA THOMAS E 2006-04-20 US claimed
US-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD 2005-12-29 US claimed
US-6890937-B2 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION (US) 2005-05-10 US claimed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US claimed
US-6750233-B2 SELECTIVITY PHARMACIA CORPORATION 2004-06-15 US claimed
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-03-11 US claimed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
EP-1230219-A1 AROMATIC SULFONS HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. Searle & Co. (US) 2002-08-14 EP claimed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO claimed
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR PHARMACIA CORPORATION 2001-11-08 US claimed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP claimed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO claimed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 LMNA 3933/4885MAPT 1148/4885ENPP2 696/4885
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP3 LMNA 4070/4885MAPT 3840/4885ENPP2 2059/4885
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 LMNA 2530/4885MAPT 2312/4885ENPP2 660/4885
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP1, MMP13 LMNA 3993/4885MAPT 3668/4885ENPP2 2539/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 LMNA 2530/4885MAPT 2312/4885ENPP2 660/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 LMNA 3933/4885MAPT 1148/4885ENPP2 696/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 LMNA 3905/4885MAPT 1113/4885ENPP2 621/4885

“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.