SCHEMBL1493469

SCHEMBL1493469

COc1ccc(Cn2nccc2NC(=O)CCc2nnnn2-c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 5/20 0.44
HTT P42858 2/20 0.41
BTK Q06187 1/20 0.39
THRB P10828 2/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL1493574 0.92 TP53 (0.41) MAPTTP53HTTTHRBALDH1A1
SCHEMBL1493380 0.88 MAPT (0.45) MAPTTP53HTTBTKTHRB
SCHEMBL1612000 0.87 HTT (0.45) MAPTTP53HTTTHRBALDH1A1
SCHEMBL1612083 0.86 THRB (0.42) MAPTTP53HTTTHRBALDH1A1
SCHEMBL1493414 0.85 HSD11B1 (0.45) MAPTTP53HTTTHRBALDH1A1
SCHEMBL1493614 0.84 ALDH1A1 (0.52) MAPTHTTALDH1A1TSHRKMT2A
SCHEMBL1493310 0.81 ALDH1A1 (0.42) MAPTTP53HTTTHRBALDH1A1
SCHEMBL1611441 0.80 HDAC1 (0.40) HTTALDH1A1TSHRKMT2AGPR139
SCHEMBL1610263 0.79 HSD11B1 (0.42) MAPTHTTALDH1A1USP2TSHR
SCHEMBL1611042 0.77 ALDH1A1 (0.39) MAPTTP53ALDH1A1TSHRHPGD

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US claimed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP claimed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO claimed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MAPT 1288/4885TP53 4867/4885HTT 616/4885

“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.