SCHEMBL1283784

SCHEMBL1283784

CCCCNc1cc(F)cc(OCCCN(CC)CC)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
HCAR3 P49019 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
APP P05067 1/20 0.36
CYP19A1 P11511 5/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
AGER Q15109 1/20 0.35
SLC2A1 P11166 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL1283844 0.88 MAPT (0.38) MAPTHCAR3POLBPKMAPP
SCHEMBL1283794 0.83 HRH3 (0.39) MAPTHCAR3POLBPKMAPP
SCHEMBL1283957 0.81 PSEN1 (0.40) MAPTCYP19A1PRMT5WDR77ALDH1A1
SCHEMBL1284455 0.79 HRH3 (0.39) ALDH1A1TDP1HRH3AGERKDM4E
SCHEMBL1283968 0.79 AGER (0.41) MAPTAPPPRMT5WDR77ALDH1A1
SCHEMBL1283872 0.76 MAPT (0.46) MAPTHCAR3POLBPKMALDH1A1
SCHEMBL19325072 0.75 GRIN2D (0.48) MAPTPOLBCYP19A1ALDH1A1GRIN2D
SCHEMBL4981533 0.73 SIRT5 (0.55) MAPTHCAR3POLBPKMAPP
SCHEMBL4983931 0.73 MAPT (0.53) MAPTHCAR3POLBPKMAPP
SCHEMBL14626766 0.72 GRIN2D (0.48) MAPTPOLBCYP19A1ALDH1A1GRIN2D

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
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
CN-101613321-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC 2009-12-30 CN disclosed
CN-101597262-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC (US) 2009-12-09 CN 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 MAPT 526/4885HCAR3 237/4885POLB 4646/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B MAPT 406/4885HCAR3 198/4885POLB 4740/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B MAPT 430/4885HCAR3 219/4885POLB 4665/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B MAPT 430/4885HCAR3 219/4885POLB 4665/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B MAPT 430/4885HCAR3 219/4885POLB 4665/4885

“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.