SCHEMBL29935663

SCHEMBL29935663

C[n+]1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
KDM4E B2RXH2 5/20 0.62
NPC1 O15118 4/20 0.62
APP P05067 6/20 0.60
GLA P06280 2/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MMP9 P14780 2/20 0.60
MMP8 P22894 2/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PAX8 Q06710 1/20 0.59
NOD2 Q9HC29 1/20 0.59
TNF P01375 1/20 0.59
NOD1 Q9Y239 1/20 0.59

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
Iodide SCHEMBL29935453 0.98 KDM4E (0.60) RAB9AKDM4ENPC1APPGLA
SCHEMBL29935496 0.94 RAB9A (0.55) RAB9AKDM4ENPC1APPGLA
SCHEMBL29474819 0.83 RAB9A (0.81) RAB9AKDM4ENPC1APPGLA
SCHEMBL366824 0.83 RAB9A (0.81) RAB9AKDM4ENPC1APPGLA
SCHEMBL24295138 0.81 RAB9A (0.79) RAB9AKDM4ENPC1APPGLA
2-Phenylbenzo[D]Thiazole SCHEMBL94005 0.81 RAB9A (0.75) RAB9AKDM4ENPC1APPGLA
2-Phenylbenzo[D]Thiazole SCHEMBL30988131 0.81 RAB9A (0.75) RAB9AKDM4ENPC1APPGLA
SCHEMBL24566408 0.80 RAB9A (0.58) RAB9AKDM4ENPC1APPGLA
2-Phenylbenzo[D]Thiazole SCHEMBL2453217 0.80 RAB9A (0.72) RAB9AKDM4ENPC1APPGLA
2-Phenylbenzo[D]Thiazole SCHEMBL29986751 0.80 RAB9A (0.72) RAB9AKDM4ENPC1APPGLA

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-20220332712-A1 HETEROARYL-PYRIDINIUM COMPOUND AND REDOX FLOW BATTERY COMPRISING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2022-10-20 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-20220332712-A1 HETEROARYL-PYRIDINIUM COMPOUND AND REDOX FLOW BATTERY COMPRISING THE SAME NOX4, DUOX1, PNPO RAB9A 1298/4885KDM4E 2720/4885NPC1 4380/4885

“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.