Neovadrine

Neovadrine

SCHEMBL22799863

Oc1nnc(-c2ccncc2)o1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.71
TP53 P04637 1/20 0.71
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
ATAD2 Q6PL18 2/20 0.61
CYP2C19 P33261 3/20 0.51
KDM4E B2RXH2 8/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4883712 0.84 PKM (1.00) PKMTP53NPC1RAB9AATAD2
SCHEMBL14562591 0.82 PKM (0.63) PKMTP53NPC1RAB9AATAD2
SCHEMBL4523089 0.80 NPC1 (0.70) NPC1RAB9AATAD2KDM4EALDH1A1
SCHEMBL9612006 0.79 PKM (0.90) PKMTP53NPC1RAB9AATAD2
SCHEMBL11965041 0.79 PKM (0.90) PKMTP53NPC1RAB9AATAD2
SCHEMBL6403740 0.77 PKM (0.57) PKMTP53NPC1RAB9AATAD2
SCHEMBL22996209 0.77 KDM4E (0.66) TP53NPC1RAB9AKDM4ECYP1A2
SCHEMBL27285808 0.77 DGAT1 (0.60) TP53NPC1RAB9ACYP2C19KDM4E
SCHEMBL21777005 0.77 RAB9A (0.60) TP53NPC1RAB9ACYP2C19KDM4E
SCHEMBL23451582 0.77 NPC1 (0.72) TP53NPC1RAB9AKDM4EUSP2

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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-20200390099-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING UNIV VANDERBILT (US) 2020-12-17 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 (2 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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 PKM 4820/4885TP53 2705/4885NPC1 1570/4885
US-20200390099-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 PKM 4820/4885TP53 2705/4885NPC1 1570/4885

“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.