SCHEMBL1283957

SCHEMBL1283957

CCN(CC)CCCOc1cc(F)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 3/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 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
SCHEMBL14626766 0.85 GRIN2D (0.48) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL1283404 0.82 KDM4E (0.44) KDM4EHRH3GRIN2DGRIN3BGRIN1
SCHEMBL1283784 0.81 MAPT (0.37) ALDH1A1KDM4EHRH3TDP1CYP19A1
SCHEMBL19325072 0.77 GRIN2D (0.48) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL4987868 0.76 S1PR4 (0.56) ALDH1A1KDM4ETDP1CYP19A1MAPT
SCHEMBL22888146 0.74 LMNA (0.38) ALDH1A1S1PR4L3MBTL1
SCHEMBL12328200 0.72 GRIN2D (0.44) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL972269 0.72 PKM (0.41) ALDH1A1KDM4ETDP1GRIN2DGRIN3B
SCHEMBL1283794 0.72 HRH3 (0.39) ALDH1A1KDM4EHRH3TDP1GRIN2D
SCHEMBL2889768 0.71 KDM4E (0.51) ALDH1A1KDM4EHRH3TDP1MAPT

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 10 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
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 PSEN1 335/4885PSEN2 401/4885APH1B 1099/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PSEN1 367/4885PSEN2 452/4885APH1B 1182/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PSEN1 360/4885PSEN2 464/4885APH1B 1037/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B PSEN1 360/4885PSEN2 464/4885APH1B 1037/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PSEN1 360/4885PSEN2 464/4885APH1B 1037/4885

“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.