SCHEMBL4936883

SCHEMBL4936883

CS(=O)(=O)O.N=C(N)NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.61

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
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 6/20 0.59
ALDH1A1 P00352 6/20 0.59
POLB P06746 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 3/20 0.57
HPGD P15428 3/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SLC9A1 P19634 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
KDM4E B2RXH2 4/20 0.55
NPFFR1 Q9GZQ6 2/20 0.45
NPFFR2 Q9Y5X5 2/20 0.45
PDE7A Q13946 1/20 0.44
PDE3A Q14432 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4948246 0.85 RAB9A (0.54) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4942893 0.83 ALDH1A1 (0.55) LMNAALDH1A1POLBGAAMAPT
SCHEMBL4939604 0.81 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL4944299 0.79 S1PR4 (0.51) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4946322 0.79 SLC9A1 (0.57) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4942499 0.78 MEN1 (0.53) SMN1; SMN2ALDH1A1MAPTHTTSLC9A1
SCHEMBL4952806 0.78 RAB9A (0.60) SMN1; SMN2ALDH1A1GAAMAPTHPGD
SCHEMBL4944695 0.78 CYP1A2 (0.62) SMN1; SMN2ALDH1A1HPGDSLC9A1TDP1
SCHEMBL19657077 0.77 SLC9A1 (0.64) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4946626 0.76 SLC9A1 (0.58) SMN1; SMN2LMNAALDH1A1POLBGAA

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 SMN1; SMN2 1875/4885LMNA 4022/4885ALDH1A1 297/4885

“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.