SCHEMBL1610585

SCHEMBL1610585

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccccc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ABCB1 P08183 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL1493383 0.94 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1LMNACYP3A4
SCHEMBL1612063 0.94 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNACYP3A4KMT2A
SCHEMBL1493526 0.93 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNACYP3A4CYP2C19
SCHEMBL1611670 0.93 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1ABCB1LMNA
SCHEMBL1611375 0.93 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1ABCB1LMNA
SCHEMBL1611938 0.92 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNACYP3A4CYP2C19
SCHEMBL1611368 0.92 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNACYP3A4CYP2C19
SCHEMBL1493554 0.92 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1ABCB1LMNA
SCHEMBL1613052 0.92 TDP1 (0.50) ALDH1A1SMN1; SMN2LMNACYP3A4CYP2C19
SCHEMBL1493293 0.91 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2ABCB1LMNACYP3A4

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 3233/4885SMN1; SMN2 4215/4885MAPK1 3086/4885

“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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