SCHEMBL1611622

SCHEMBL1611622

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2-c2ccccc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.56
▸ POLB P06746 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ NTRK1 P04629 2/20 0.54
▸ NTRK2 Q16620 2/20 0.54
▸ NFE2 Q16621 1/20 0.54
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL1610113 0.94 NPSR1 (0.52) ALDH1A1POLBNPSR1SMN1; SMN2NTRK1
SCHEMBL1493373 0.94 NPSR1 (0.55) ALDH1A1POLBNPSR1SMN1; SMN2NTRK1
SCHEMBL1493410 0.92 CYP3A4 (0.53) ALDH1A1POLBNPSR1SMN1; SMN2NTRK1
SCHEMBL1611034 0.92 KMT2A (0.56) ALDH1A1POLBNPSR1SMN1; SMN2NTRK1
SCHEMBL1612310 0.90 NPSR1 (0.51) ALDH1A1POLBNPSR1SMN1; SMN2NTRK1
SCHEMBL1611457 0.90 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2NTRK1NTRK2
SCHEMBL1493481 0.88 NPSR1 (0.49) ALDH1A1POLBNPSR1SMN1; SMN2KMT2A
SCHEMBL1611894 0.88 ALDH1A1 (0.66) ALDH1A1NPSR1SMN1; SMN2NTRK1NTRK2
SCHEMBL1611435 0.87 NPSR1 (0.49) ALDH1A1NPSR1SMN1; SMN2NTRK1NTRK2
SCHEMBL1611780 0.87 SMN1; SMN2 (0.47) ALDH1A1POLBNPSR1SMN1; SMN2NTRK1

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 ALDH1A1 3233/4885POLB 4782/4885NPSR1 9/4885

“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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