SCHEMBL2810063

SCHEMBL2810063

Fc1ccc(Cl)c(Oc2ccc(I)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.46
HTR2A P28223 8/20 0.46
KCNH2 Q12809 8/20 0.46
APP P05067 1/20 0.40
HSPB1 P04792 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
PNLIP P16233 1/20 0.36
MAP2K1 Q02750 2/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2812244 0.82 MAOB (0.47) SLC6A4HTR2AKCNH2F2F10
SCHEMBL13860118 0.81 HSPB1 (0.42) SLC6A4HTR2AKCNH2APPHSPB1
SCHEMBL4372913 0.78 HSPB1 (0.58) SLC6A4HTR2AKCNH2APPHSPB1
SCHEMBL2814306 0.76 HSPB1 (0.68) HSPB1LMNA
SCHEMBL9338779 0.75 HTR2A (0.39) SLC6A4HTR2AKCNH2HSPB1F2
SCHEMBL1028659 0.75 HTR2A (0.47) SLC6A4HTR2AKCNH2
SCHEMBL16695420 0.75 SLC6A4 (0.46) SLC6A4HTR2AKCNH2HSPB1F2
SCHEMBL1028660 0.75 ESR1 (0.44) SLC6A4HTR2AKCNH2F2F10
SCHEMBL365087 0.74 APP (0.57) KCNH2APPHSPB1LMNA
SCHEMBL2808333 0.71 LPL (0.51) SLC6A4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249192-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-09-30 US disclosed
EP-2231649-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-09-29 EP disclosed
WO-2009073973-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-06-18 WO 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-20100249192-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SLC6A4 4693/4885HTR2A 2812/4885KCNH2 4504/4885

“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.