SCHEMBL1493465

SCHEMBL1493465

COc1ccc(C)cc1-n1nnnc1SCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.67
GAA P10253 2/20 0.67
LMNA P02545 4/20 0.65
TSHR P16473 3/20 0.65
USP2 O75604 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 3/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 3/20 0.60
PKM P14618 2/20 0.60
BLM P54132 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
STAT3 P40763 1/20 0.60
HTT P42858 1/20 0.60
ESR1 P03372 1/20 0.60
APEX1 P27695 1/20 0.60
RECQL P46063 1/20 0.60
RAB9A P51151 1/20 0.60
NPSR1 Q6W5P4 2/20 0.58

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
SCHEMBL1493482 0.88 USP2 (0.77) ALDH1A1LMNATSHRUSP2SMN1; SMN2
SCHEMBL1493311 0.85 ALDH1A1 (0.76) ALDH1A1GAALMNATSHRUSP2
SCHEMBL1493362 0.84 MAPK1 (0.78) ALDH1A1USP2MAPTMEN1KMT2A
SCHEMBL1611721 0.83 LMNA (0.76) ALDH1A1GAALMNATSHRUSP2
SCHEMBL14605801 0.82 ALDH1A1 (0.68) ALDH1A1GAALMNATSHRUSP2
SCHEMBL1493471 0.81 LMNA (0.68) ALDH1A1LMNATSHRUSP2SMN1; SMN2
SCHEMBL1610173 0.77 POLB (0.76) ALDH1A1LMNATSHRUSP2SMN1; SMN2
SCHEMBL1612844 0.76 POLB (0.73) ALDH1A1GAALMNATSHRSMN1; SMN2
SCHEMBL7932695 0.76 ALDH1A1 (0.62) ALDH1A1GAALMNATSHRUSP2
SCHEMBL7924134 0.75 ALDH1A1 (0.54) ALDH1A1GAALMNATSHRUSP2

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 3 patents. 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
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO 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 3233/4885GAA 2218/4885LMNA 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.