SCHEMBL1612063

SCHEMBL1612063

Cc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ LMNA P02545 6/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ NTRK2 Q16620 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL1493526 0.94 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1610585 0.94 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1611938 0.93 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1493383 0.93 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1611820 0.92 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1493285 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1493392 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1493395 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1493323 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1612426 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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 2 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

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 ALDH1A1 3233/4885SMN1; SMN2 4215/4885LMNA 4145/4885

“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.

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