SCHEMBL1283645

SCHEMBL1283645

CCCCNc1cc(OCCCN(CC)CC)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
APP P05067 1/20 0.44
MAOB P27338 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SCN1A P35498 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HIF1A Q16665 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
RAD52 P43351 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL4980460 0.95 KDM4E (0.52) KDM4EAPPMAOBHSP90AA1HSP90AB1
SCHEMBL4980706 0.94 KDM4E (0.51) KDM4EAPPMAOBCYP1A2CYP2D6
SCHEMBL4984307 0.90 KDM4E (0.50) KDM4EAPPMAOBHRH3SIGMAR1
SCHEMBL4983089 0.88 KDM4E (0.54) KDM4EMAOBSIGMAR1MAOA
SCHEMBL1284030 0.82 LTA4H (0.41) TSHRKCNH2HSP90AA1HSP90AB1
SCHEMBL1283924 0.81 HSP90AA1 (0.41) KDM4EAPPMAOBCYP1A2CYP2D6
SCHEMBL4981533 0.80 SIRT5 (0.55) KDM4EAPPMAOB
SCHEMBL2891507 0.80 CYP1A2 (0.60) KDM4EMAOBCYP1A2CYP2D6TSHR
SCHEMBL4983140 0.79 KDM4E (0.62) KDM4EMAOBTSHRSIGMAR1MAOA
SCHEMBL763435 0.79 ALDH1A1 (0.44) KDM4EAPPTSHRHSP90AA1HSP90AB1

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 17 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-20080119534-A1 Benzimidazole Derivatives as Therapeutic Agents TRANS TECH PHARMA, INC (US) 2008-05-22 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-7329684-B2 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-02-12 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-7087632-B2 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2006-08-08 US disclosed
US-20060025464-A1 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, LLC 2006-02-02 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
EP-1387680-A1 BENZIMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS TransTech Pharma Inc. (US) 2004-02-11 EP 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
US-20030032663-A1 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, LLC 2003-02-13 US disclosed
WO-2002069965-A1 BENZIMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2002-09-12 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 (8 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 4107/4885APP 37/4885MAOB 2425/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 3968/4885APP 45/4885MAOB 2397/4885
US-20080119534-A1 Benzimidazole Derivatives as Therapeutic Agents AGER, S100B, S100A4 KDM4E 3269/4885APP 106/4885MAOB 1721/4885
US-20030032663-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 KDM4E 3282/4885APP 96/4885MAOB 1747/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885APP 43/4885MAOB 2307/4885
US-20060025464-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 KDM4E 3269/4885APP 106/4885MAOB 1721/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B KDM4E 4138/4885APP 43/4885MAOB 2307/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885APP 43/4885MAOB 2307/4885

“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.