SCHEMBL2298377

SCHEMBL2298377

Cc1ccc(S(=O)(=O)O)cc1.N=C(N)n1nnc2ccccc21

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
▸ SLC9A1 P19634 2/20 0.53
▸ CYP2D6 P10635 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ DGAT1 O75907 1/20 0.49
▸ GAA P10253 7/20 0.44
▸ MGAM O43451 6/20 0.44
▸ AMY1A P0DUB6 6/20 0.44
▸ SI P14410 6/20 0.44
▸ MGAM2 Q2M2H8 6/20 0.44
▸ NOD1 Q9Y239 2/20 0.42
▸ CXCL8 P10145 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ F2 P00734 1/20 0.42
▸ F12 P00748 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MIF P14174 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2583961 0.89 SLC9A1 (0.54) SLC9A1DGAT1GAAMGAMAMY1A
SCHEMBL7841328 0.82 DGAT1 (0.49) SLC9A1DGAT1GAAMGAMAMY1A
SCHEMBL1520814 0.81 DGAT1 (0.72) SLC9A1CYP2D6MAPK1DGAT1GAA
SCHEMBL11077694 0.80 POLB (0.60) SLC9A1CYP2D6MAPK1DGAT1GAA
Hydrochloric Acid SCHEMBL2681010 0.79 DGAT1 (0.70) SLC9A1CYP2D6MAPK1DGAT1GAA
Guanidine SCHEMBL811270 0.72 CYP2D6 (0.61) CYP2D6MAPK1GAAKMT2AF2
Phenazine SCHEMBL29879113 0.71 KDM4E (0.58) SLC9A1CYP2D6MAPK1GAANOD1
Phenazine SCHEMBL29609188 0.71 KDM4E (0.58) SLC9A1CYP2D6MAPK1GAANOD1
SCHEMBL16706437 0.70 MGAM (0.77) SLC9A1GAAMGAMAMY1ASI
SCHEMBL7746353 0.70 SLC9A1 (1.00) SLC9A1MAPK1GAANOD1CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747382-A1 COMPOSITIONS AND METHODS FOR MANAGEMENT OF WHITEFLY Natural Resources Institute (GB) 2026-05-27 — — EP claimed
WO-2026102563-A1 DISUBSTITUTED PYRIMIDOPYRROLE ANALOG AND USE THEREOF 深圳湾实验室坪山生物医药研发转化中心 2026-05-21 — — WO claimed
EP-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 — — EP claimed
EP-4680755-A1 METHOD FOR IMPROVING 2, 4 DIHYDROXYBUTYRIC ACID PRODUCTION AND YIELD Adisseo France S.A.S. (FR) 2026-01-21 — — EP claimed
EP-4667492-A2 TARGETED LIPID PARTICLES FOR SYSTEMIC DELIVERY OF NUCLEIC ACID MOLECULES TO LEUKOCYTES Ramot at Tel-Aviv University Ltd. (IL) 2025-12-24 — — EP claimed
EP-4615416-A1 SELF-ASSEMBLING LIPID NANOPARTICLES FOR TARGETED DELIVERY OF THERAPEUTIC AGENTS Ramot at Tel-Aviv University Ltd. (IL) 2025-09-17 — — EP claimed
EP-3160448-B1 LIPOSOMAL FORMULATIONS FOR DELIVERY OF NUCLEIC ACIDS UNIV RAMOT (IL) 2025-08-06 — — EP claimed
US-20250194603-A1 COMPOSITIONS AND METHODS FOR MANAGEMENT OF WHITEFLY NAT RESOURCES INSTITUTE (GB) 2025-06-19 — — US claimed
WO-2025128977-A1 COMPOSITIONS AND METHODS FOR MANAGEMENT OF WHITEFLY NATIONAL RESOURCES INSTITUTE (GB) 2025-06-19 — — WO claimed
CN-119849726-A Hidden function driven multi-objective path planning optimization method for multi-channel network 烟台哈尔滨工程大学研究院 2025-04-18 — — CN claimed
WO-2016174611-A1 PHARMACEUTICAL COMPOUND VALLAURIX PTE. LTD. (SG) 2016-11-03 — — WO claimed
EP-3088418-A1 PHARMACEUTICAL COMPOUND VALLAURIX PTE. LTD. (SG) 2016-11-02 — — EP claimed
EP-3088417-A1 PHARMACEUTICAL COMPOUND VALLAURIX PTE. LTD. (SG) 2016-11-02 — — EP claimed
US-20160137689-A1 PEPTIDE-RESIN CONJUGATE AND USE THEREOF CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. 2016-05-19 — — US claimed
EP-3010930-A1 PEPTIDE-RESIN CONJUGATE AND USE THEREOF Chemical & Biopharmaceutical Laboratories of Patras S.A. (GR) 2016-04-27 — — EP claimed
WO-2014203193-A1 PEPTIDE-RESIN CONJUGATE AND USE THEREOF CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2014-12-24 — — WO claimed
EP-1363875-B1 NOVEL BENZAMIDINE DERIVATIVES HAVING ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITY ROTTAPHARM SPA (IT) 2008-08-06 — — EP claimed
US-20040110801-A1 Novel benzamidine derivatives having anti-inflammatory and immunosuppressive ROTTAPHARM BIOTECH S.R.L. (IT) 2004-06-10 — — US claimed
EP-1363875-A2 NOVEL BENZAMIDINE DERIVATIVES HAVING ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2003-11-26 — — EP claimed
WO-2002070468-A2 NOVEL BENZAMIDINE DERIVATIVES HAVING ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2002-09-12 — — WO claimed

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-20160137689-A1 PEPTIDE-RESIN CONJUGATE AND USE THEREOF ARGLU1, ARG1, NPR1 SLC9A1 1457/4885CYP2D6 2800/4885MAPK1 1799/4885
US-20040110801-A1 Novel benzamidine derivatives having anti-inflammatory and immunosuppressive HRH4, NAT1, HRH3 SLC9A1 1705/4885CYP2D6 655/4885MAPK1 415/4885

“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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