SCHEMBL1458965

SCHEMBL1458965

Cc1sc(-c2cccnc2)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNA5 P30532 1/20 0.51
CHRNA4 P43681 1/20 0.51
KDM4E B2RXH2 3/20 0.49
GFER P55789 1/20 0.49
PTGS2 P35354 1/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
CYP2A6 P11509 1/20 0.46
MAPT P10636 5/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 1/20 0.45
DUSP3 P51452 1/20 0.45
BLM P54132 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL11460755 0.83 KDM4E (0.63) KDM4EGFERPTGS2RARARARB
SCHEMBL11460952 0.82 RARA (0.56) KDM4EGFERPTGS2RARARARB
SCHEMBL1460159 0.80 KDM4E (0.51) KDM4EGFERPTGS2RARARARB
SCHEMBL27878654 0.78 KDM4E (0.48) KDM4EGFERPTGS2RARARARB
SCHEMBL1459521 0.78 KDM4E (0.49) KDM4EGFERRARARARBRARG
SCHEMBL11889107 0.77 MAPT (0.48) KDM4EGFERPTGS2RARARARB
SCHEMBL5069305 0.76 CHRNB2 (0.64) CHRNB2CHRNA5CHRNA4PTGS2CYP2A6
Hydrochloric Acid SCHEMBL1460753 0.76 MAPT (0.47) KDM4EGFERPTGS2RARARARB
SCHEMBL2121915 0.75 CYP3A4 (0.56) KDM4EGFERCYP2A6MAPTALDH1A1
SCHEMBL14360681 0.74 KDM4E (0.57) KDM4EGFERRARARARBRARG

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
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E CHRNB2 255/4885CHRNA5 177/4885CHRNA4 236/4885

“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.