SCHEMBL5467736

SCHEMBL5467736

C=Cc1ncccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.44
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.41
GFER P55789 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40

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
SCHEMBL1990900 0.85 PDE10A (0.56) PDE10AALDH1A1TDP1POLBRAB9A
SCHEMBL5467728 0.79 SOS1 (0.46) PDE10AALDH1A1TDP1POLBRAB9A
SCHEMBL27662448 0.79 ACHE (0.41) PDE10AALDH1A1TDP1POLBRAB9A
SCHEMBL27642139 0.79 ACHE (0.41) PDE10AALDH1A1TDP1POLBRAB9A
SCHEMBL27841270 0.77 MAPT (0.43) TDP1RAB9AMEN1KMT2AMAPT
SCHEMBL17997972 0.76 PDE10A (0.73) PDE10AALDH1A1TDP1POLBRAB9A
SCHEMBL8402283 0.76 ALDH1A1 (0.50) PDE10AALDH1A1TDP1POLBRAB9A
SCHEMBL30535903 0.75 ALDH1A1 (0.74) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL1287837 0.75 ALDH1A1 (0.74) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL29029891 0.75 SOS1 (0.54) ALDH1A1TDP1RAB9AMEN1KMT2A

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-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 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-20070054921-A1 Substituted indoles and a process for preparing substituted indoles IDO1, IDO2, TPH1 PDE10A 352/4885ALDH1A1 477/4885TDP1 3838/4885

“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.