SCHEMBL31389387

SCHEMBL31389387

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1.[Na+].[Na+]

nearest known ligand 0.68

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
▸ CA12 known ✓ O43570 1/20 0.47
▸ RAD51 Q06609 3/20 0.68
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPT P10636 5/20 0.53
▸ ATM Q13315 1/20 0.52
▸ MITF O75030 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ CASP3 P42574 2/20 0.51
▸ CASP2 P42575 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL22003338 0.87 MEN1 (0.56) RAD51MEN1KMT2ARAB9ANPC1
SCHEMBL11883293 0.84 RAD51 (0.72) RAD51MEN1KMT2AMAPTPOLB
SCHEMBL31389389 0.84 RAD51 (0.72) RAD51MEN1KMT2ARAB9ANPC1
SCHEMBL2859095 0.81 RAD51 (0.68) RAD51MEN1KMT2AMAPTPOLB
SCHEMBL31389369 0.81 RAD51 (1.00) RAD51MEN1KMT2ARAB9ANPC1
SCHEMBL9820416 0.81 MEN1 (0.57) RAD51MEN1KMT2ARAB9ANPC1
SCHEMBL9820417 0.81 MEN1 (0.57) RAD51MEN1KMT2ARAB9ANPC1
SCHEMBL26725600 0.80 CD40 (0.53) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL31389372 0.79 RAD51 (0.72) RAD51MEN1KMT2AALDH1A1MAPT
SCHEMBL31389373 0.79 RAD51 (0.72) RAD51MEN1KMT2AALDH1A1MAPT

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-20250177344-A1 DISULFONATE STILBENES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES Université de Nantes (FR) 2025-06-05 — — US disclosed
US-12233041-B2 Disulfonate stilbenes for use in the treatment of proliferative diseases Université de Nantes (FR) 2025-02-25 — — 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 (2 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-20250177344-A1 DISULFONATE STILBENES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES RB1, ARSA, SDHB CA12 297/4885RAD51 959/4885MEN1 520/4885
US-12233041-B2 Disulfonate stilbenes for use in the treatment of proliferative diseases RB1, ARSA, SDHB CA12 297/4885RAD51 959/4885MEN1 520/4885

“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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