SCHEMBL29446261

SCHEMBL29446261

O=C(CSc1ccc(Br)cc1)Nc1cn(CCc2ccccc2)nc1C(=O)[O-].[Na+]

nearest known ligand 0.58

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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.40
ADORA3 known ✓ P0DMS8 1/20 0.39
ADORA2A known ✓ P29274 1/20 0.39
ADORA1 known ✓ P30542 1/20 0.39
NOD2 known ✓ Q9HC29 1/20 0.39
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TNF P01375 1/20 0.39
PLA2G1B P04054 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL29446262 0.98 KMT2A (0.46) KMT2AMEN1LMNAL3MBTL1NPC1
Potassium Ion SCHEMBL29446260 0.98 KMT2A (0.46) KMT2AMEN1LMNAL3MBTL1NPC1
SCHEMBL1875570 0.91 KMT2A (0.48) KMT2AMEN1LMNAL3MBTL1NPC1
SCHEMBL21224988 0.90 KMT2A (0.47) KMT2AMEN1LMNAL3MBTL1NPC1
SCHEMBL21225118 0.90 KMT2A (0.47) KMT2AMEN1LMNAL3MBTL1NPC1
SCHEMBL21225109 0.90 KMT2A (0.47) KMT2AMEN1LMNAL3MBTL1NPC1
SCHEMBL1876938 0.90 KMT2A (0.48) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL1876346 0.89 KMT2A (0.47) KMT2AMEN1LMNAL3MBTL1NPC1
SCHEMBL1871855 0.85 KMT2A (0.48) KMT2AMEN1LMNAL3MBTL1NPC1
SCHEMBL1875857 0.84 KMT2A (0.43) KMT2AMEN1LMNAL3MBTL1NPC1

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-11242321-B2 Salt forms of organic compound KAINOS MEDICINE INC. (KR) 2022-02-08 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-11242321-B2 Salt forms of organic compound SLC10A6, SLC10A1, SLCO4C1 CA2 158/4885ADORA3 2235/4885ADORA2A 4204/4885

“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.