SCHEMBL1284455

SCHEMBL1284455

CCCCNc1cc(OCCCN(CC)CC)cc(OCCN2CCCC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
LTA4H P09960 4/20 0.39
BACE1 P56817 6/20 0.38
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
AGER Q15109 1/20 0.36

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
SCHEMBL1283377 0.93 LTA4H (0.44) HRH3LTA4HBACE1PTGS2PTGS1
SCHEMBL1283844 0.90 MAPT (0.38) KDM4EALDH1A1TDP1AGER
SCHEMBL1283533 0.84 HRH3 (0.43) HRH3LTA4HBACE1
SCHEMBL1283721 0.82 LTA4H (0.44) HRH3LTA4HBACE1PTGS2PTGS1
SCHEMBL1283784 0.79 MAPT (0.37) HRH3KDM4EALDH1A1TDP1AGER
SCHEMBL1283794 0.79 HRH3 (0.39) HRH3KDM4EALDH1A1TDP1
SCHEMBL1283968 0.77 AGER (0.41) ALDH1A1AGER
SCHEMBL1283230 0.75 LTA4H (0.49) HRH3LTA4HBACE1PTGS2PTGS1
SCHEMBL4981533 0.72 SIRT5 (0.55) KDM4EALDH1A1HTTLMNATDP1
SCHEMBL1283924 0.72 HSP90AA1 (0.41) HRH3KDM4EALDH1A1TDP1AGER

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 8 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
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
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US 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 1265/4885LTA4H 2960/4885BACE1 318/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH3 978/4885LTA4H 2743/4885BACE1 444/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH3 1008/4885LTA4H 2586/4885BACE1 289/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B HRH3 1008/4885LTA4H 2586/4885BACE1 289/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH3 1008/4885LTA4H 2586/4885BACE1 289/4885

“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.