SCHEMBL1283063

SCHEMBL1283063

CCN(CC)CCCOc1ccc(C(=O)CBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
BCHE P06276 5/20 0.57
ACHE P22303 5/20 0.57
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
EBP Q15125 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
GSK3B P49841 1/20 0.54
LMNA P02545 1/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
MAOB P27338 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL492102 0.89 HRH3 (0.61) HRH3BCHEACHETHRATHRB
SCHEMBL1283638 0.87 THRA (0.67) HRH3BCHEACHETHRATHRB
SCHEMBL5055145 0.85 L3MBTL1 (0.65) HRH3ACHETHRATHRBGSK3B
SCHEMBL1283683 0.85 THRB (0.69) HRH3BCHEACHETHRATHRB
SCHEMBL5418369 0.84 TP53 (0.64) HRH3BCHEACHEEBPSIGMAR1
SCHEMBL491797 0.84 L3MBTL1 (0.69) HRH3BCHEACHEEBPSIGMAR1
SCHEMBL1283830 0.84 THRA (0.71) HRH3BCHEACHETHRATHRB
SCHEMBL5424873 0.83 HRH3 (0.61) HRH3BCHEACHEEBPSIGMAR1
SCHEMBL2356907 0.83 TP53 (0.66) THRATHRBGSK3BL3MBTL1
SCHEMBL5057170 0.82 L3MBTL1 (0.70) THRATHRBGSK3BL3MBTL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
EP-2324830-A1 Process for the preparation of a monocyclic azole derivative that inhibits the interaction of ligands with rage TransTech Pharma Inc. (US) 2011-05-25 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO 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 (5 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH3 1265/4885BCHE 1178/4885ACHE 1276/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH3 978/4885BCHE 1202/4885ACHE 1348/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH3 1008/4885BCHE 1161/4885ACHE 1301/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B HRH3 1008/4885BCHE 1161/4885ACHE 1301/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH3 1008/4885BCHE 1161/4885ACHE 1301/4885

“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.