SCHEMBL1493570

SCHEMBL1493570

CCc1cccc(CC)c1-n1nnnc1CCC(=O)Nc1c(C)cnn1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 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
SCHEMBL1612568 0.87 ALDH1A1 (0.44) TP53HTTALDH1A1MAPTTHRB
SCHEMBL1612083 0.85 THRB (0.42) TP53HTTALDH1A1MAPTTHRB
SCHEMBL1612925 0.84 SMN1; SMN2 (0.47) TP53HTTALDH1A1MAPTTHRB
SCHEMBL1493574 0.79 TP53 (0.41) TP53HTTALDH1A1MAPTTHRB
SCHEMBL1612000 0.76 HTT (0.45) TP53HTTALDH1A1MAPTTHRB
SCHEMBL1493469 0.75 MAPT (0.44) TP53HTTALDH1A1MAPTTHRB
SCHEMBL1493414 0.74 HSD11B1 (0.45) TP53HTTALDH1A1MAPTTHRB
SCHEMBL1611890 0.73 ALDH1A1 (0.53) HTTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1612005 0.71 SMN1; SMN2 (0.46) TP53HTTALDH1A1MAPTPKM
SCHEMBL1610263 0.71 HSD11B1 (0.42) HTTALDH1A1MAPTLMNASMN1; SMN2

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 4 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
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 TP53 4867/4885HTT 616/4885ALDH1A1 3233/4885

“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.