SCHEMBL66153

SCHEMBL66153

NC(=O)CNc1ccc([As](=O)([O-])O)cc1.[Na+]

nearest known ligand 0.42

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
ESR2 known ✓ Q92731 2/20 0.39
CA12 known ✓ O43570 4/20 0.34
CA1 known ✓ P00915 4/20 0.34
CA2 known ✓ P00918 4/20 0.34
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.36
CA9 Q16790 3/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PRSS1 P07477 6/20 0.32
CA7 P43166 1/20 0.32
F2 P00734 2/20 0.31
PRSS2 P07478 2/20 0.31

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
SCHEMBL66154 0.84 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAESR1
Difetarsone SCHEMBL5058528 0.80 ALDH1A1 (0.43) KMT2AALDH1A1MEN1LMNACYP1A2
Difetarsone SCHEMBL160476 0.80 ALDH1A1 (0.43) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL11647073 0.72 CA1 (0.41) ALDH1A1ESR1CYP19A1ESR2MAPT
SCHEMBL3659518 0.72 PEPD (0.54) KMT2AALDH1A1MEN1ESR1CYP19A1
SCHEMBL3995569 0.72 ESR1 (0.55) KMT2AALDH1A1MEN1LMNAESR1
SCHEMBL7148427 0.72 PRSS1 (0.61) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL4395547 0.71 NPC1 (0.55) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL5518500 0.71 ALDH1A1 (0.55) KMT2AALDH1A1MEN1MAPTCA12
Hydrochloric Acid SCHEMBL4804173 0.71 ESR1 (0.54) KMT2AMEN1LMNAESR1CYP19A1

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 528 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
EP-1757607-A1 N5-substituted benzo¬2,3|azepino¬4,5-b|indol-6-ones for treating tropical diseases Molisa GmbH (DE) 2007-02-28 EP claimed
CN-1826129-A Methods and compositions relating to isoleucine boroproline compounds POINT THERAPEUTICS INC (US) 2006-08-30 CN claimed
EP-1578434-A2 METHODS AND COMPOSITIONS RELATING TO ISOLEUCINE BOROPROLINE COMPOUNDS Point Therapeutics, Inc. (US) 2005-09-28 EP claimed
EP-0911031-B1 Use of arsenic for preparing a medicament for the treatment of premenstrual syndrome TARELLO WALTER (IT) 2004-12-15 EP claimed
US-20040077601-A1 Methods and compositions relating to isoleucine boroproline compounds POINT THERAPEUTICS, INC. 2004-04-22 US claimed
WO-2004004658-A2 METHODS AND COMPOSITIONS RELATING TO ISOLEUCINE BOROPROLINE COMPOUNDS POINT THERAPEUTICS, INC. (US) 2004-01-15 WO claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
EP-0911031-A2 Use of arsenic for preparing a medicament for the treatment of premenstrual syndrome TARELLO, Walter (IT) 1999-04-28 EP claimed
US-20260061030-A1 COMPOSITIONS AND SYNERGISTIC METHODS FOR TREATING INFECTIONS BIOAEGIS THERAPEUTICS INC. (US) 2026-03-05 US disclosed
US-20250346906-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF CD274/PD-L1 GENE ALNYLAM PHARMACEUTICALS INC (US) 2025-11-13 US disclosed
US-4080340-A Nitroimidazoles MERCK & CO., INC. (US) 1978-03-21 US disclosed
US-4010176-A Isoxazole substituted nitroimidazoles MERCK & CO., INC. (US) 1977-03-01 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 (4 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-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS ESR2 4738/4885CA12 1497/4885CA1 1432/4885
US-20250346906-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF CD274/PD-L1 GENE CD274, PDCD1LG2, PDCD4 ESR2 4363/4885CA12 3325/4885CA1 4432/4885
US-20260061030-A1 COMPOSITIONS AND SYNERGISTIC METHODS FOR TREATING INFECTIONS SLC11A2, GSDMD, C5 ESR2 4501/4885CA12 4539/4885CA1 4791/4885
US-20040077601-A1 Methods and compositions relating to isoleucine boroproline compounds BCAT1, BCAT2, APOB ESR2 3121/4885CA12 4165/4885CA1 4390/4885

“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.