SCHEMBL31389369

SCHEMBL31389369

COc1ccc(C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)c4ccc(OC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1.[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
▸ RAD51 Q06609 3/20 1.00
▸ RAB9A P51151 11/20 0.57
▸ NPC1 O15118 10/20 0.57
▸ SMN1; SMN2 Q16637 8/20 0.57
▸ TP53 P04637 6/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ ALOX15 P16050 1/20 0.56
▸ LMNA P02545 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MAPT P10636 3/20 0.52

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
SCHEMBL27138913 0.84 RAD51 (0.72) RAD51RAB9ANPC1SMN1; SMN2TP53
SCHEMBL11883293 0.84 RAD51 (0.72) RAD51SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL31389389 0.84 RAD51 (0.72) RAD51RAB9ANPC1SMN1; SMN2TP53
SCHEMBL31556104 0.82 RAD51 (0.69) RAD51RAB9ANPC1SMN1; SMN2TP53
SCHEMBL31556105 0.82 RAD51 (0.69) RAD51RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2859095 0.81 RAD51 (0.68) RAD51LMNAKMT2AMEN1PKM
SCHEMBL31389387 0.81 RAD51 (0.68) RAD51RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL22003616 0.81 RAD51 (0.67) RAD51RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31389366 0.78 RAD51 (0.73) RAD51RAB9ANPC1ALDH1A1HPGD
SCHEMBL9094835 0.75 RAD51 (0.74) RAD51RAB9ANPC1SMN1; SMN2TP53

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 RAD51 959/4885RAB9A 189/4885NPC1 4193/4885
US-12233041-B2 Disulfonate stilbenes for use in the treatment of proliferative diseases RB1, ARSA, SDHB RAD51 959/4885RAB9A 189/4885NPC1 4193/4885

“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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