SCHEMBL1615469

SCHEMBL1615469

CCCCn1c(-c2ccc(Oc3ccc(F)c(C(F)(F)F)c3)cc2OCCCN(C)C)nc2c(OCCN3CCCC3)cc(OCCN3CCCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.36
PTGS2 P35354 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
HRH3 Q9Y5N1 4/20 0.34
KCNH2 Q12809 1/20 0.34
INPPL1 O15357 1/20 0.34
SLC6A4 P31645 1/20 0.34
AGER Q15109 2/20 0.34
AVPR1B P47901 1/20 0.34
RAF1 P04049 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL1283481 0.97 LTA4H (0.36) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL13100561 0.95 LTA4H (0.39) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL1283326 0.95 LTA4H (0.39) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL1283682 0.94 AGER (0.37) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL1283161 0.94 AGER (0.37) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL1283608 0.94 AGER (0.37) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL1283502 0.94 AGER (0.37) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL1283637 0.94 AGER (0.37) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL1283823 0.94 AGER (0.37) LTA4HPTGS2HRH4HRH3KCNH2
SCHEMBL1615260 0.90 AGER (0.39) AGERTHRATHRB

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B LTA4H 2586/4885PTGS2 1181/4885HRH4 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.