SCHEMBL4937176

SCHEMBL4937176

COc1cccc(-c2ccc(C(=O)NC(=N)N)o2)c1.CS(=O)(=O)O

nearest known ligand 0.59

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
MAOB known ✓ P27338 1/20 0.45
SLC9A1 P19634 2/20 0.59
C3AR1 Q16581 1/20 0.51
MAOA P21397 1/20 0.45
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
S1PR4 O95977 1/20 0.44
STS P08842 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL4942546 0.87 NQO2 (0.53) SLC9A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4944299 0.85 S1PR4 (0.51) SLC9A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4944695 0.83 CYP1A2 (0.62) SLC9A1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4936806 0.82 SLC9A1 (0.61) SLC9A1C3AR1ALDH1A1MAPTMEN1
SCHEMBL4943798 0.82 SLC9A1 (0.61) SLC9A1C3AR1ALDH1A1MAPTMEN1
SCHEMBL4936895 0.80 ALDH1A1 (0.50) SLC9A1ALDH1A1MAPTKMT2ALMNA
SCHEMBL6669312 0.80 SLC9A1 (0.73) SLC9A1C3AR1MAOAMAOBABCB1
SCHEMBL4937803 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4939604 0.78 ALDH1A1 (0.56) SLC9A1MAOAMAOBABCB1ALDH1A1
SCHEMBL4939182 0.77 SLC9A1 (0.65) SLC9A1C3AR1MAOAMAOBABCB1

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 MAOB 628/4885SLC9A1 1/4885C3AR1 1093/4885

“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.