SCHEMBL1612426

SCHEMBL1612426

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccc(Cl)c(Cl)c2)c1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
FSCN1 Q16658 1/20 0.43

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
SCHEMBL1493323 0.95 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1POLB
SCHEMBL1493526 0.93 ALDH1A1 (0.49) ALDH1A1MAPTLMNANPSR1POLB
SCHEMBL1611375 0.92 ALDH1A1 (0.49) ALDH1A1MAPTLMNANPSR1POLB
SCHEMBL1612063 0.92 ALDH1A1 (0.49) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL1610585 0.91 ALDH1A1 (0.52) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL1493285 0.90 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1POLB
SCHEMBL1611368 0.90 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1611938 0.90 ALDH1A1 (0.48) ALDH1A1MAPTLMNANPSR1POLB
SCHEMBL1493383 0.90 ALDH1A1 (0.49) ALDH1A1MAPTLMNANPSR1POLB
SCHEMBL1612078 0.90 ALDH1A1 (0.48) ALDH1A1MAPTLMNANPSR1SMN1; SMN2

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 3233/4885MAPT 1288/4885LMNA 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.