SCHEMBL1611375

SCHEMBL1611375

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
ABCB1 P08183 1/20 0.44

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 0.93 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL1610585 0.93 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL1612426 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL1493323 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL1611368 0.92 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL1611638 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL1493383 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL1612063 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL1612775 0.89 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL1493285 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1

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 4215/4885LMNA 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.