SCHEMBL1611435

SCHEMBL1611435

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2-c2ccc(OC(F)(F)F)cc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 4/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NTRK1 P04629 2/20 0.46
NTRK2 Q16620 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HK1 P19367 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 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
SCHEMBL1493410 0.89 CYP3A4 (0.53) NPSR1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1611034 0.88 KMT2A (0.56) NPSR1MAPTALDH1A1NTRK1NTRK2
SCHEMBL1493492 0.88 MAPT (0.48) NPSR1MAPTGLAMAPK1CYP3A4
SCHEMBL1493373 0.88 NPSR1 (0.55) NPSR1MAPTALDH1A1NTRK1NTRK2
SCHEMBL1611622 0.87 ALDH1A1 (0.56) NPSR1MAPTALDH1A1NTRK1NTRK2
SCHEMBL1610113 0.87 NPSR1 (0.52) NPSR1MAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL1612310 0.85 NPSR1 (0.51) NPSR1MAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL1611457 0.85 ALDH1A1 (0.60) MAPTMAPK1ALDH1A1NTRK1NTRK2
SCHEMBL1493481 0.83 NPSR1 (0.49) NPSR1MAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL1493343 0.83 ALDH1A1 (0.54) MAPTMAPK1ALDH1A1LMNAHPGD

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 NPSR1 9/4885MAPT 1288/4885GLA 3515/4885

“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.