SCHEMBL3952121

SCHEMBL3952121

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.43
FFAR1 O14842 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
PAX8 Q06710 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3952124 1.00 PDE10A (0.45) PDE10APOLBALDH1A1FFAR1CYP1A2
SCHEMBL126343 0.82 PDE10A (0.51) PDE10APOLBALDH1A1FFAR1CYP1A2
SCHEMBL30832623 0.82 PDE10A (0.51) PDE10APOLBALDH1A1FFAR1CYP1A2
SCHEMBL7469510 0.76 PDE10A (0.53) PDE10APOLBALDH1A1FFAR1CYP1A2
SCHEMBL6970708 0.75 PDE10A (0.51) PDE10APOLBALDH1A1FFAR1CYP1A2
SCHEMBL6453136 0.70 FFAR1 (0.49) PDE10APOLBALDH1A1FFAR1CYP1A2
SCHEMBL29940575 0.68 PDE10A (0.60) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL6512953 0.68 PDE10A (0.60) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL23885294 0.68 ALDH1A1 (0.52) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL3894902 0.68 ALDH1A1 (0.56) PDE10APOLBALDH1A1CYP1A2CYP2C9

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
US-7560473-B2 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. (CN) 2009-07-14 US disclosed
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2004-12-30 US disclosed
EP-1386908-A1 AMINE DERIVATIVE WITH POTASSIUM CHANNEL REGULATORY FUNCTION, ITS PREPARATION AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2004-02-04 EP 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-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use KCNMA1, KCNA5, KCNA1 PDE10A 481/4885POLB 2993/4885ALDH1A1 428/4885

“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.