SCHEMBL29935874

SCHEMBL29935874

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
PKM P14618 2/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
APP P05067 5/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PAX8 Q06710 1/20 0.48
NOD2 Q9HC29 1/20 0.48
TNF P01375 1/20 0.48
NOD1 Q9Y239 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48

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
Bromide SCHEMBL29935563 0.99 KDM4E (0.50) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL29935630 0.95 KDM4E (0.47) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
Bromide SCHEMBL29935440 0.85 RAB9A (0.55) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL24566464 0.83 KDM4E (0.55) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
Bromide SCHEMBL29935461 0.82 KDM4E (0.54) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
Bromide SCHEMBL29935767 0.82 KDM4E (0.54) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
Iodide SCHEMBL29737318 0.82 KDM4E (0.57) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL29935671 0.81 RAB9A (0.51) KDM4EPKMAPOBEC3AAPOBEC3GRAB9A
SCHEMBL21980952 0.80 MEN1 (0.36) KDM4ERAB9ANPC1MAPTSMN1; SMN2
Bromide SCHEMBL21980956 0.79 MEN1 (0.35) KDM4ERAB9ANPC1MAPTSMN1; SMN2

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 KDM4E 2720/4885PKM 477/4885APOBEC3A 2065/4885

“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.