SCHEMBL21810697

SCHEMBL21810697

CCCCCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR known ✓ P00374 1/20 0.38
DNM1 Q05193 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
PKM P14618 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HTT P42858 2/20 0.37
KCNH2 Q12809 1/20 0.37
NAAA Q02083 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL21810713 1.00 DNM1 (0.39) DNM1DHFRMEN1KMT2ATP53
SCHEMBL21810704 1.00 DNM1 (0.39) DNM1DHFRMEN1KMT2ATP53
SCHEMBL810136 0.98 DNM1 (0.40) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL308300 0.98 DNM1 (0.40) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL3863463 0.98 DNM1 (0.40) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL308412 0.98 DNM1 (0.40) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL4532567 0.96 LTA4H (0.38) DNM1MEN1KMT2ATP53MAPK1
Tetramethylammonium Ion SCHEMBL8574603 0.92 DNM1 (0.44) DNM1MEN1KMT2ATP53MAPK1
Tetramethylammonium Ion SCHEMBL3615088 0.92 DNM1 (0.44) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL8568117 0.92 DNM1 (0.37) DNM1MEN1KMT2ATP53MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421264-B2 Compounds and methods for the treatment of pathogenic Neisseria INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2025-09-23 US disclosed
US-20220089626-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PATHOGENIC NEISSERIA INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2022-03-24 US disclosed
WO-2020051701-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PATHOGENIC NEISSERIA INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2020-03-19 WO 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-20220089626-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PATHOGENIC NEISSERIA NMBR, MLEC, BPGM DHFR 3043/4885DNM1 2403/4885MEN1 53/4885
US-12421264-B2 Compounds and methods for the treatment of pathogenic Neisseria NMBR, MLEC, BPGM DHFR 3043/4885DNM1 2403/4885MEN1 53/4885

“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.