SCHEMBL1610263

SCHEMBL1610263

COc1ccc(-n2nccc2NC(=O)CCc2nnnn2-c2c(C)cccc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL1612138 0.92 HTT (0.41) HSD11B1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1493574 0.87 TP53 (0.41) HSD11B1ALDH1A1MAPTHTTLMNA
SCHEMBL1611314 0.84 ALDH1A1 (0.44) HSD11B1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1493522 0.83 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1493469 0.79 MAPT (0.44) ALDH1A1MAPTHTTKMT2ATSHR
SCHEMBL1612000 0.78 HTT (0.45) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL1493414 0.78 HSD11B1 (0.45) HSD11B1ALDH1A1MAPTHTTMEN1
SCHEMBL1612083 0.77 THRB (0.42) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL1493562 0.75 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1611441 0.74 HDAC1 (0.40) HSD11B1ALDH1A1HTTKMT2ALMNA

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HSD11B1 1201/4885CYP1A2 1066/4885CYP3A4 1167/4885

“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.