SCHEMBL2406878

SCHEMBL2406878

CC(N)OB(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PNMT P11086 1/20 0.32
KCNA3 P22001 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
SLC6A4 P31645 2/20 0.31
MET P08581 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL12271041 0.83 SLC6A3 (0.33) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL2411602 0.81 SLC6A2 (0.32) SLC6A4
SCHEMBL16151504 0.79 SLC6A3 (0.35) PNMTSLC6A4
SCHEMBL2407195 0.77
SCHEMBL13476016 0.76 SLC6A4 (0.34) HTR2ARAPGEF4SLC6A4
SCHEMBL12270807 0.75 SLC6A4 (0.32) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL12271042 0.75 HTR2A (0.32) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL2408417 0.71 LMNA (0.38) HTR2AHTR2CHTR2BPNMTLMNA
SCHEMBL2406879 0.71 KDM4E (0.50) CYP1A2CYP3A4PNMTSLC6A4
SCHEMBL2407157 0.71 IDO1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 HTR2A 4731/4885HTR2C 4764/4885HTR2B 3005/4885

“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.