SCHEMBL3099645

SCHEMBL3099645

[CH2]CCOc1cc(OCCCN(CC)CC)cc2[nH]c(-c3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3OCC3CCCC3)nc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
AGER Q15109 3/20 0.32
HRH4 Q9H3N8 7/20 0.32
EGFR P00533 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CHEK2 O96017 2/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL1283972 0.97 KDM4E (0.36) KDM4EAGERHRH4EGFRBRAF
SCHEMBL1283305 0.83 KDM4E (0.40) KDM4EAGERHRH4EGFRBRAF
SCHEMBL1283542 0.83 HRH4 (0.40) HRH4BRAFKDR
SCHEMBL1283857 0.82 KDM4E (0.41) KDM4EAGERHRH4EGFRBRAF
SCHEMBL1615374 0.81 CHEK2 (0.46) KDM4EAGEREGFRBRAFKDR
SCHEMBL3100196 0.81 HRH4 (0.40) HRH4KDR
SCHEMBL3095780 0.80 HRH4 (0.35) AGERHRH4
SCHEMBL1283482 0.79 AGER (0.36) KDM4EAGEREGFRBRAFKDR
SCHEMBL13100482 0.78 HRH4 (0.37) KDM4EAGERHRH4
SCHEMBL1282949 0.77 HRH4 (0.42) HRH4KDR

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 KDM4E 4107/4885AGER 1/4885HRH4 1608/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885AGER 1/4885HRH4 1278/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885AGER 1/4885HRH4 1278/4885

“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.