SCHEMBL1612138

SCHEMBL1612138

COc1ccc(-n2nccc2NC(=O)CCc2nnnn2-c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 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
SCHEMBL1610263 0.92 HSD11B1 (0.42) HTTMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1493469 0.87 MAPT (0.44) HTTMAPTALDH1A1KMT2ATP53
SCHEMBL1493562 0.83 CYP1A2 (0.58) HTTMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1611314 0.80 ALDH1A1 (0.44) HTTMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1493574 0.79 TP53 (0.41) HTTMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL1493380 0.75 MAPT (0.45) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL1493522 0.75 CYP1A2 (0.62) HTTMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1612000 0.74 HTT (0.45) HTTMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL1612083 0.73 THRB (0.42) HTTMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL1612428 0.73 ALDH1A1 (0.60) HTTMAPTCYP1A2CYP3A4CYP2D6

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 HTT 616/4885MAPT 1288/4885CYP1A2 1066/4885

“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.