SCHEMBL12367389

SCHEMBL12367389

Cc1ccc([N+](=O)[O-])c(/C=C/N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 6/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KAT2B Q92831 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 2/20 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
SCHEMBL11264895 0.87 TSHR (0.53) TSHRCYP3A4MAPTBACE1ALDH1A1
SCHEMBL11264900 0.87 TSHR (0.53) TSHRCYP3A4MAPTBACE1ALDH1A1
SCHEMBL25553508 0.84 ALDH1A1 (0.42) TSHRCYP3A4MAPTBACE1ALDH1A1
SCHEMBL3933622 0.83 BACE1 (0.40) TSHRCYP3A4MAPTBACE1ALDH1A1
SCHEMBL3933619 0.83 BACE1 (0.40) TSHRCYP3A4MAPTBACE1ALDH1A1
SCHEMBL11834600 0.83 BACE1 (0.50) TSHRMAPTBACE1ALDH1A1RAB9A
SCHEMBL11837128 0.83 ATM (0.50) MAPTBACE1ALDH1A1RAB9AATM
SCHEMBL11834613 0.83 BACE1 (0.50) TSHRMAPTBACE1ALDH1A1RAB9A
SCHEMBL11837114 0.83 ATM (0.50) MAPTBACE1ALDH1A1RAB9AATM
SCHEMBL11839016 0.80 BACE1 (0.54) MAPTBACE1ALDH1A1RAB9AATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 — — US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 — — 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-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NOS1, NOS3, NOS2 TSHR 3127/4885CYP3A4 428/4885MAPT 2200/4885

“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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