SCHEMBL1612575

SCHEMBL1612575

Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccnn2-c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.64
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ NTRK1 P04629 3/20 0.58
▸ NTRK2 Q16620 3/20 0.58
▸ NFE2 Q16621 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ LMNA P02545 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HKDC1 Q2TB90 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.55
▸ USP2 O75604 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL1612428 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493403 0.87 NTRK1 (0.69) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493457 0.87 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL1611622 0.86 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493514 0.85 NTRK1 (0.69) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1611415 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493373 0.84 NPSR1 (0.55) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493501 0.83 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1611572 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL1493542 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNAGAA

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 3233/4885MEN1 683/4885KMT2A 1510/4885

“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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