Guanidine

Guanidine

SCHEMBL811270

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Guanidine. 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
CYP2D6 P10635 2/20 0.61
MAPK1 P28482 1/20 0.61
ALDH1A1 P00352 4/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
TSHR P16473 2/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
NT5E P21589 1/20 0.52
F2 P00734 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50

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
Thiourea SCHEMBL1577311 0.92 CYP2D6 (0.58) CYP2D6MAPK1ALDH1A1CA1CA2
Urea SCHEMBL11794762 0.89 ALDH1A1 (0.57) CYP2D6MAPK1ALDH1A1CA1CA2
Hno SCHEMBL3391939 0.89 GAA (0.56) CYP2D6MAPK1ALDH1A1CA1CA2
Hydroxyamine SCHEMBL599912 0.89 ALDH1A1 (0.58) CYP2D6MAPK1ALDH1A1CA1CA2
Hydrazine SCHEMBL8861759 0.89 ALDH1A1 (0.58) CYP2D6MAPK1ALDH1A1CA1CA2
Methylamine SCHEMBL4135110 0.89 ALDH1A1 (0.58) CYP2D6MAPK1ALDH1A1CA1CA2
SCHEMBL6960519 0.89 GAA (0.56) CYP2D6MAPK1ALDH1A1CA1CA2
SCHEMBL11432043 0.89 GAA (0.62) CYP2D6MAPK1ALDH1A1CA1CA2
SCHEMBL34 0.89 GAA (0.62) CYP2D6MAPK1ALDH1A1CA1CA2
SCHEMBL31313 0.89 GAA (0.62) CYP2D6MAPK1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250286141-A1 ELECTROLYTE SYSTEMS INCLUDING PERFORMANCE-ENHANCING ADDITIVES, AND ELECTROCHEMICAL CELLS INCLUDING THE SAME Lyten, Inc. 2025-09-11 US claimed
WO-2025036900-A1 HAIR DYEING COMPOSITION KAO CORPORATION (JP) 2025-02-20 WO claimed
EP-2338923-B1 Polyurethane with a biocidal polyuric material as comonomer OBERWALDER SEBASTIAN (DE) 2017-10-18 EP claimed
US-9738647-B2 Methods for the synthesis of polycyclic guanidine compounds SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-08-22 US claimed
EP-2515648-B1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER INC (US) 2017-08-16 EP claimed
US-20140194622-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2014-07-10 US claimed
US-8642771-B2 Methods for the synthesis of polycyclic guanidine compounds NOVOMER, INC. (US) 2014-02-04 US claimed
EP-2515648-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS Novomer, Inc. (US) 2012-10-31 EP claimed
US-20120259112-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2012-10-11 US claimed
CN-102665406-A Method for synthesizing polycyclic guanidine compounds NOVOMER INC 2012-09-12 CN claimed
WO-2011079041-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2011-06-30 WO claimed
WO-2025045680-A1 METHOD TO MAKE BICYCLIC GUANIDINES EVONIK OPERATIONS GMBH (DE) 2025-03-06 WO disclosed
WO-2025036900-A1 HAIR DYEING COMPOSITION KAO CORPORATION (JP) 2025-02-20 WO disclosed
US-9738647-B2 Methods for the synthesis of polycyclic guanidine compounds SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-08-22 US disclosed
EP-2515648-B1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER INC (US) 2017-08-16 EP disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO 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 (3 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-20140194622-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS GNMT, GMPS, GDA CYP2D6 2208/4885MAPK1 3986/4885ALDH1A1 2770/4885
US-20120259112-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS GNMT, GMPS, GDA CYP2D6 2208/4885MAPK1 3986/4885ALDH1A1 2770/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CYP2D6 2653/4885MAPK1 436/4885ALDH1A1 3532/4885

“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.