SCHEMBL1493552

SCHEMBL1493552

Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.75
NTRK2 Q16620 3/20 0.75
NFE2 Q16621 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL1493509 0.86 NTRK1 (0.85) NTRK1NTRK2NFE2SMN1; SMN2CYP1A2
SCHEMBL1493588 0.86 NTRK1 (0.85) NTRK1NTRK2NFE2SMN1; SMN2CYP1A2
SCHEMBL1493355 0.82 NTRK1 (0.78) NTRK1NTRK2NFE2SMN1; SMN2HTT
SCHEMBL1493561 0.81 NTRK1 (0.73) NTRK1NTRK2NFE2SMN1; SMN2HTT
SCHEMBL1493342 0.79 NTRK1 (0.73) NTRK1NTRK2NFE2SMN1; SMN2HTT
SCHEMBL1493425 0.78 NTRK1 (0.72) NTRK1NTRK2NFE2SMN1; SMN2HTT
SCHEMBL1493585 0.78 NTRK1 (0.68) NTRK1NTRK2NFE2SMN1; SMN2HTT
SCHEMBL1493514 0.77 NTRK1 (0.69) NTRK1NTRK2NFE2HTTALDH1A1
SCHEMBL1493403 0.77 NTRK1 (0.69) NTRK1NTRK2NFE2HTTALDH1A1
SCHEMBL1493451 0.77 NTRK1 (0.69) NTRK1NTRK2NFE2SMN1; SMN2CYP3A4

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 4 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 claimed
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 NTRK1 731/4885NTRK2 331/4885NFE2 3363/4885

“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.