SCHEMBL3465027

SCHEMBL3465027

COc1ccc2c(c1)CCC21CCCC(=C[N+](=O)[O-])N1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.43
KDM1A O60341 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA2A P08913 2/20 0.37
GAA P10253 1/20 0.35
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34
AR P10275 2/20 0.33
AKR1B1 P15121 1/20 0.33
SNCA P37840 1/20 0.33

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
SCHEMBL3465025 1.00 PDE7A (0.43) PDE7AKDM1ACYP2C19ADRA2AGAA
SCHEMBL743696 0.84 CYP2C19 (0.35) PDE7AKDM1ACYP2C19ADRA2AGAA
SCHEMBL3465090 0.78 PDE7A (0.53) PDE7AKDM1ACYP2C19ADRA2AGAA
SCHEMBL28465895 0.72 KDM1A (0.48) PDE7AKDM1ACYP2C19ADRA2A
SCHEMBL743822 0.66 ADRA2A (0.43) PDE7AKDM1ACYP2C19ADRA2ABACE1
SCHEMBL9176801 0.65 AKR1B1 (0.60) PDE7AKDM1ACYP2C19AKR1B1
SCHEMBL1972093 0.65 TSHR (0.58) PDE7AAKR1B1
SCHEMBL3465309 0.64 KDM1A (0.43) PDE7AKDM1ACYP2C19ADRA2A
SCHEMBL3464559 0.64 KDM1A (0.46) PDE7AKDM1ACYP2C19ADRA2A
SCHEMBL4640481 0.64 KDM1A (0.61) KDM1ACYP2C19ADRA2ALMNA

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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 PDE7A 915/4885KDM1A 2819/4885CYP2C19 49/4885

“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.