SCHEMBL4942546

SCHEMBL4942546

COc1ccc(-c2ccc(C(=O)NC(=N)N)o2)cc1.CS(=O)(=O)O

nearest known ligand 0.53

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 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.46
DRD1 known ✓ P21728 1/20 0.46
HTR2A known ✓ P28223 1/20 0.46
NQO2 P16083 2/20 0.53
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
MGAM O43451 2/20 0.49
GAA P10253 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPKAPK2 P49137 1/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
CNR1 P21554 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL4937803 0.87 ALDH1A1 (0.49) NQO2ALDH1A1MAPTMGAMGAA
SCHEMBL4937176 0.87 SLC9A1 (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4944299 0.86 S1PR4 (0.51) NQO2ALDH1A1MAPTMGAMGAA
SCHEMBL4943698 0.80 LMNA (0.51) NQO2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4943738 0.79 SLC9A1 (0.57) NQO2ALDH1A1MAPTMGAMGAA
SCHEMBL25003140 0.78 MAPT (0.57) NQO2ALDH1A1MAPTMGAMGAA
SCHEMBL4939604 0.78 ALDH1A1 (0.56) ALDH1A1MAPTHPGDLMNAKDM4E
SCHEMBL13485760 0.77 ALDH1A1 (0.59) NQO2ALDH1A1MAPTMGAMGAA
SCHEMBL4943634 0.77 ALDH1A1 (0.64) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL19629283 0.76 NQO2 (0.73) NQO2ALDH1A1MAPTMGAMGAA

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-7351843-B2 Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-04-01 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 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 (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-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 HTR1A 1211/4885DRD1 3386/4885HTR2A 1570/4885

“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.