SCHEMBL6414969

SCHEMBL6414969

CCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(C(=O)[O-])c2)CC1.[Na+]

nearest known ligand 0.63

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 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 3/20 0.45
HTR7 P34969 2/20 0.45
HTT P42858 1/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL6176786 0.91 POLB (0.51) POLBMEN1KMT2ANPC1KDM4E
SCHEMBL6419494 0.90 POLB (0.50) POLBMEN1KMT2ANPC1KDM4E
SCHEMBL6414971 0.90 POLB (0.50) POLBMEN1KMT2ANPC1KDM4E
SCHEMBL5657975 0.88 MAPT (0.59) MEN1KMT2ANPC1KDM4ELMNA
SCHEMBL5657782 0.87 KMT2A (0.63) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL14457597 0.87 DRD2 (0.52) POLBMEN1KMT2ANPC1KDM4E
SCHEMBL5656137 0.87 NPC1 (0.51) POLBMEN1KMT2ANPC1KDM4E
SCHEMBL5657841 0.86 HTR1A (0.55) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL5656207 0.86 NPC1 (0.65) MEN1KMT2ANPC1KDM4ELMNA
SCHEMBL5656233 0.85 KMT2A (0.50) MEN1KMT2ANPC1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same CEREP (FR) 2005-12-01 US claimed
US-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same CEREP (FR) 2005-12-01 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-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same HTR4, HTR2B, HTR1B POLB 4226/4885MEN1 3108/4885KMT2A 1571/4885

“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.