SCHEMBL12824550

SCHEMBL12824550

CC(C)(C)c1cc2c(cc1[N+](=O)[O-])NCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ MAPT P10636 1/20 0.61
▸ AR P10275 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GFER P55789 1/20 0.34
▸ HTR2B P41595 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL13362121 0.85 ALDH1A1 (0.61) ALDH1A1MAPTARTSHRTDP1
SCHEMBL1746106 0.80 ALDH1A1 (0.67) ALDH1A1MAPTTSHRSMN1; SMN2MEN1
SCHEMBL20274100 0.79 ALDH1A1 (0.57) ALDH1A1MAPTARTSHRTDP1
SCHEMBL10100726 0.78 DRD2 (0.42) ALDH1A1MAPTARSMN1; SMN2GFER
SCHEMBL393596 0.77 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2HTTGFER
SCHEMBL2206444 0.76 ALDH1A1 (0.67) ALDH1A1MAPTARTDP1SMN1; SMN2
SCHEMBL394896 0.76 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2GFERHTR2B
SCHEMBL2267850 0.76 MAPT (0.67) ALDH1A1MAPTTSHRTDP1MEN1
SCHEMBL2207168 0.76 ALDH1A1 (0.61) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL27690269 0.76 ALDH1A1 (0.61) ALDH1A1MAPTARTSHRSMN1; SMN2

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-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — 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-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 ALDH1A1 1620/4885MAPT 4528/4885AR 2074/4885

“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.

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