SCHEMBL4482052

SCHEMBL4482052

O=C([O-])c1cc(Br)cnc1Cl.[Na+]

nearest known ligand 0.35

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
CA1 known ✓ P00915 3/20 0.35
CA2 known ✓ P00918 3/20 0.35
CSNK2A1 P68400 1/20 0.35
PLAU P00749 2/20 0.35
HIPK2 Q9H2X6 2/20 0.35
EGFR P00533 1/20 0.33
ALPL P05186 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SORT1 Q99523 1/20 0.33
ELANE P08246 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL983160 0.81 PLAU (0.37) PLAUEGFRALPLSMN1; SMN2KDR
SCHEMBL427374 0.81 SMN1; SMN2 (0.46) PLAUSMN1; SMN2SORT1ALDH1A1POLB
SCHEMBL30036961 0.79 CASP1 (0.49) PLAUMAPTKDM4ELMNA
SCHEMBL4492180 0.79 CASP1 (0.49) PLAUMAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL21457860 0.79 SMN1; SMN2 (0.44) PLAUSMN1; SMN2SORT1ALDH1A1POLB
SCHEMBL1600624 0.79 OPRK1 (0.42) PLAUSMN1; SMN2KDRMAPK1ALDH1A1
SCHEMBL4482054 0.79 SMN1; SMN2 (0.44) PLAUSMN1; SMN2SORT1ALDH1A1POLB
SCHEMBL28525745 0.76 CA1 (0.33) CA1CA2SMN1; SMN2KDRALDH1A1
SCHEMBL15999462 0.75 ALDH1A1 (0.56) PLAUSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL15999441 0.75 OPRK1 (0.46) EGFRSMN1; SMN2KDRMAPTSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937682-B1 MET KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-7547782-B2 Met kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
EP-1937682-A1 MET KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-02 EP disclosed
WO-2007041379-A1 MET KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
US-20070078140-A1 MET kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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-20070078140-A1 MET kinase inhibitors MET, ABL1, ERBB2 CA1 3292/4885CA2 1354/4885CSNK2A1 91/4885

“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.