SCHEMBL6798008

SCHEMBL6798008

CS(=O)(=O)O.Cc1ccc(O)c2c1cc(C(=O)NC=NN)n2C

nearest known ligand 0.34

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
PHGDH O43175 4/20 0.33
SLC9A1 P19634 2/20 0.33
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
GLO1 Q04760 1/20 0.30

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
SCHEMBL7956123 0.77 MCL1 (0.37) MAPTLMNAALDH1A1
SCHEMBL7955780 0.73
SCHEMBL7960930 0.72 SLC9A1 (0.30) SLC9A1
SCHEMBL8417579 0.71
SCHEMBL3714304 0.69 MEN1 (0.57) PHGDHSLC9A1MAPT
SCHEMBL7952021 0.67 MCL1 (0.47) SLC9A1MAPTLMNAALDH1A1
SCHEMBL7954089 0.67 MCL1 (0.30)
SCHEMBL6803759 0.66 ESR1 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL8416084 0.66
SCHEMBL7956114 0.65 MCL1 (0.57) SLC9A1MAPTRXFP1LMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734205-B2 SODIUM CHANNEL MODERATORS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-05-11 US disclosed
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US disclosed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP 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-20030018056-A1 Substituted guanidine derivatives SLC28A1, SLC7A1, ABCB11 CA12 4310/4885CA1 3844/4885CA2 603/4885

“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.