SCHEMBL4939604

SCHEMBL4939604

COc1ccccc1-c1ccc(C(=O)NC(=N)N)o1.CS(=O)(=O)O

nearest known ligand 0.56

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 19)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 1/20 0.42
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
SLC9A1 P19634 5/20 0.56
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.46
ABCB1 P08183 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.42

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
SCHEMBL4942893 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDSLC9A1MAPT
SCHEMBL4943762 0.84 ABCB1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4948246 0.84 RAB9A (0.54) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4941515 0.83 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4946448 0.83 SLC9A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4944686 0.83 SLC9A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4936883 0.81 SMN1; SMN2 (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4944299 0.81 S1PR4 (0.51) ALDH1A1KDM4EHPGDSLC9A1MAPT
SCHEMBL4948227 0.81 KMT2A (0.43) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4940226 0.81 SLC9A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10TDP1

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 628/4885ALDH1A1 297/4885KDM4E 3451/4885

“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.