SCHEMBL30414772

SCHEMBL30414772

C/N=c1/ccc2c(-c3ccc(N)cc3C(=O)[O-])c3ccc(NC)cc3oc-2c1.[Na+]

nearest known ligand 0.45

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
▸ P2RY6 known ✓ Q15077 1/20 0.37
▸ CA1 known ✓ P00915 10/20 0.35
▸ CA2 known ✓ P00918 10/20 0.35
▸ CA12 known ✓ O43570 3/20 0.32
▸ USP2 O75604 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ CFTR P13569 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ GOPC Q9HD26 1/20 0.43
▸ CA9 Q16790 11/20 0.35
▸ SLC18A1 P54219 1/20 0.33
▸ SLC18A2 Q05940 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA14 Q9ULX7 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALPL P05186 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
SCHEMBL21878561 0.90 USP2 (0.56) USP2L3MBTL1ABCB1CFTRPAX8
SCHEMBL21878562 0.90 USP2 (0.56) USP2L3MBTL1ABCB1CFTRPAX8
SCHEMBL6056016 0.81 ABCB1 (0.45) USP2L3MBTL1ABCB1CFTRPAX8
SCHEMBL12697372 0.81 ABCB1 (0.45) USP2L3MBTL1ABCB1CFTRPAX8
SCHEMBL609855 0.81 ABCB1 (0.45) USP2L3MBTL1ABCB1CFTRPAX8
Perchlorate SCHEMBL5606712 0.79 ABCB1 (0.42) USP2L3MBTL1ABCB1CFTRPAX8
Perchlorate SCHEMBL5606714 0.79 ABCB1 (0.42) USP2L3MBTL1ABCB1CFTRPAX8
Perchlorate SCHEMBL29692775 0.79 ABCB1 (0.42) USP2L3MBTL1ABCB1CFTRPAX8
SCHEMBL5606715 0.77 ABCB1 (0.47) USP2L3MBTL1ABCB1CFTRPAX8
SCHEMBL14611311 0.76 ABCB1 (0.58) USP2L3MBTL1ABCB1CFTRPAX8

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-11649228-B2 Zinc indicators for cellular imaging THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-05-16 — — 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-11649228-B2 Zinc indicators for cellular imaging IAPP, SLC30A6, SLC30A7 P2RY6 2536/4885CA1 923/4885CA2 583/4885

“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.

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