SCHEMBL1092129

SCHEMBL1092129

C/C=C/c1ncccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
PAX8 Q06710 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL1092487 1.00 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL1092131 1.00 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL9000299 0.84 PDE10A (0.54) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL8561899 0.83 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL8561898 0.83 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL13351976 0.83 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL1997663 0.82 PDE10A (0.45) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL1997660 0.82 PDE10A (0.45) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL27563330 0.82 PDE10A (0.45) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL29953235 0.80 PDE10A (0.53) PDE10AALDH1A1POLBPAX8MEN1

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-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR PDE10A 3870/4885ALDH1A1 3636/4885POLB 1666/4885

“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.