SCHEMBL1491093

SCHEMBL1491093

Nc1ccnn1-c1cccc(-c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
TAAR1 Q96RJ0 3/20 0.46
DHFR P00374 1/20 0.43
NR3C2 P08235 1/20 0.43
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.39
MAP4K4 O95819 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD11B1 P28845 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL544667 0.90 POLB (0.61) POLBNR3C2MAPTKMT2AMAPK14
SCHEMBL12299071 0.76 POLB (0.56) POLBNR3C2KDM4EMEN1KMT2A
SCHEMBL15428758 0.74 POLB (0.57) POLBNR3C2KDM4EMEN1MAPT
SCHEMBL544287 0.73 POLB (0.61) POLBNR3C2KDM4EMEN1MAPT
SCHEMBL544859 0.73 POLB (0.61) POLBDHFRKDM4EMEN1MAPT
SCHEMBL15428751 0.73 POLB (0.61) POLBNR3C2KDM4EMAPTKMT2A
SCHEMBL544860 0.73 POLB (0.61) POLBMEN1KMT2ACYP3A4
SCHEMBL403594 0.73 POLB (0.56) POLBDHFRMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL18692736 0.72 POLB (0.59) POLBDHFRKDM4EMEN1MAPT
SCHEMBL1491089 0.72 POLB (0.64) POLBNR3C2KDM4EMEN1MAPT

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 POLB 4782/4885TAAR1 42/4885DHFR 2959/4885

“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.