SCHEMBL1283679

SCHEMBL1283679

CCN(CC)CCCOc1ccc(C=O)c(OCCCN(CC)CC)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAOB P27338 7/20 0.51
SIGMAR1 Q99720 1/20 0.48
MAOA P21397 1/20 0.47
MAPT P10636 1/20 0.47
CHRNA7 P36544 1/20 0.47
KMT2A Q03164 1/20 0.47
XDH P47989 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 2/20 0.46

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
SCHEMBL1283902 0.87 KDM4E (0.49) KDM4EMAOBSIGMAR1
SCHEMBL4064858 0.85 ALDH1A1 (0.51) MAOBMAPTKMT2AALDH1A1TDP1
SCHEMBL5365511 0.84 ALDH1A1 (0.58) MAOBMAPTCHRNA7KMT2AALDH1A1
SCHEMBL11669697 0.82 ALDH1A1 (0.62) KDM4EMAOBMAPTKMT2AALDH1A1
SCHEMBL4067770 0.82 MDM2 (0.50) KDM4EMAOBMAPTKMT2AALDH1A1
SCHEMBL5106446 0.82 MAOB (0.50) MAOBALDH1A1
SCHEMBL5449064 0.82 MDM2 (0.52) KDM4EMAOBMAPTKMT2AALDH1A1
SCHEMBL317833 0.81 MAOB (0.52) MAOBALDH1A1
SCHEMBL8749655 0.81 MAOB (0.52) MAOBALDH1A1
SCHEMBL1283722 0.81 AGER (0.38) KDM4EMAOBSIGMAR1MAOAALDH1A1

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 KDM4E 4107/4885MAOB 2425/4885SIGMAR1 3246/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 3968/4885MAOB 2397/4885SIGMAR1 3480/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885MAOB 2307/4885SIGMAR1 3440/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B KDM4E 4138/4885MAOB 2307/4885SIGMAR1 3440/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885MAOB 2307/4885SIGMAR1 3440/4885

“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.