SCHEMBL1284405

SCHEMBL1284405

CCCCNc1cc(OCCCN(C)C)cc(OCCCN(C)C)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.47
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DNM2 P50570 2/20 0.39
THRB P10828 3/20 0.38
THRA P10827 2/20 0.38
TLR7 Q9NYK1 3/20 0.37
HRH3 Q9Y5N1 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD4 P21917 1/20 0.36
ACHE P22303 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 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
SCHEMBL1283924 0.89 HSP90AA1 (0.41) TLR8KDM4EALDH1A1HRH3CYP1A2
SCHEMBL1283533 0.79 HRH3 (0.43) HRH3
SCHEMBL1283230 0.78 LTA4H (0.49) KDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL1283459 0.74 AGER (0.41) KDM4EALDH1A1HRH3CYP1A2MAPK1
SCHEMBL1283601 0.74 CHRNB2 (0.45) SMN1; SMN2CYP1A2
SCHEMBL19141233 0.73 CYP1A2 (0.52) TLR8KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL19141798 0.70 TSHR (0.56) TLR8LMNACYP1A2HTR2BSLC6A3
SCHEMBL1283645 0.69 KDM4E (0.50) KDM4EHRH3CYP1A2MAOASCN1A
SCHEMBL1283844 0.69 MAPT (0.38) KDM4EALDH1A1
SCHEMBL25720549 0.68 CYP1A2 (0.50) TLR8KDM4EALDH1A1LMNACYP1A2

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 4 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-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (3 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 TLR8 294/4885KDM4E 4107/4885ALDH1A1 3404/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TLR8 276/4885KDM4E 4138/4885ALDH1A1 3093/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B TLR8 276/4885KDM4E 4138/4885ALDH1A1 3093/4885

“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.