SCHEMBL13100482

SCHEMBL13100482

CCN(CC)CCCOc1cc(OCCCN(CC)CC)c2nc(-c3ccc(Oc4ccc(F)c(C(F)(F)F)c4)cc3C(F)(F)F)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.37
AGER Q15109 2/20 0.36
ACHE P22303 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALK Q9UM73 1/20 0.34

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
SCHEMBL1283915 0.96 HRH4 (0.37) HRH4AGERACHE
SCHEMBL3095780 0.92 HRH4 (0.35) HRH4AGER
SCHEMBL1283983 0.92 ACHE (0.43) AGERACHEKDM4E
SCHEMBL1283068 0.89 ADORA2A (0.40) AGERACHEKDM4E
SCHEMBL1282949 0.89 HRH4 (0.42) HRH4
SCHEMBL5057009 0.87 HRH4 (0.36) HRH4
SCHEMBL3100196 0.86 HRH4 (0.40) HRH4
SCHEMBL1614240 0.85 HRH4 (0.47) HRH4
SCHEMBL1283305 0.85 KDM4E (0.40) HRH4AGERACHEKDM4EALK
SCHEMBL1615374 0.82 CHEK2 (0.46) AGERACHEKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH4 1608/4885AGER 1/4885ACHE 1276/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH4 1278/4885AGER 1/4885ACHE 1301/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HRH4 1278/4885AGER 1/4885ACHE 1301/4885

“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.