SCHEMBL29935675

SCHEMBL29935675

COCC[n+]1ccc(-c2nc3ccccc3s2)cc1.F[B-](F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
PKM P14618 2/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
NOD2 Q9HC29 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 2/20 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 SCHEMBL29935725 0.94 KDM4E (0.56) KDM4ERAB9ASMN1; SMN2NPC1PKM
SCHEMBL29935717 0.81 KDM4E (0.54) KDM4ERAB9ASMN1; SMN2NPC1PKM
SCHEMBL29737334 0.81 KDM4E (0.54) KDM4ERAB9ASMN1; SMN2NPC1PKM
SCHEMBL29935496 0.80 RAB9A (0.55) KDM4ERAB9ASMN1; SMN2NPC1PKM
SCHEMBL23486156 0.80 KDM4E (0.52) KDM4ERAB9ASMN1; SMN2NPC1PKM
SCHEMBL23458484 0.79 KDM4E (0.50) KDM4ERAB9ASMN1; SMN2NPC1PKM
Bromide SCHEMBL29935440 0.77 RAB9A (0.55) KDM4ERAB9ASMN1; SMN2NPC1PKM
SCHEMBL23458485 0.77 KDM4E (0.48) KDM4ERAB9ASMN1; SMN2NPC1PKM
SCHEMBL29935671 0.76 RAB9A (0.51) KDM4ERAB9ASMN1; SMN2NPC1PKM
SCHEMBL24566464 0.75 KDM4E (0.55) KDM4ERAB9ASMN1; SMN2NPC1PKM

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 2720/4885RAB9A 1298/4885SMN1; SMN2 3862/4885

“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.