SCHEMBL4942893

SCHEMBL4942893

CS(=O)(=O)O.Cc1ccccc1-c1ccc(C(=O)NC(=N)N)o1

nearest known ligand 0.55

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 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 4/20 0.55
SLC9A1 P19634 2/20 0.54
MAPT P10636 4/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
RECQL P46063 1/20 0.50
S1PR4 O95977 5/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
TNIK Q9UKE5 1/20 0.41

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 0.86 RAB9A (0.54) ALDH1A1HPGDKDM4ESLC9A1MAPT
SCHEMBL4939604 0.85 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ESLC9A1MAPT
SCHEMBL4937731 0.85 SLC9A1 (0.61) ALDH1A1HPGDKDM4ESLC9A1MAPT
SCHEMBL4936883 0.83 SMN1; SMN2 (0.61) ALDH1A1HPGDKDM4ESLC9A1MAPT
SCHEMBL4944299 0.83 S1PR4 (0.51) ALDH1A1HPGDKDM4ESLC9A1MAPT
SCHEMBL4946322 0.82 SLC9A1 (0.57) ALDH1A1KDM4ESLC9A1MAPTPOLB
SCHEMBL4946641 0.81 SLC9A1 (0.57) ALDH1A1HPGDKDM4ESLC9A1MAPT
SCHEMBL4946626 0.80 SLC9A1 (0.58) ALDH1A1HPGDKDM4ESLC9A1MAPT
SCHEMBL4937803 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL4939618 0.80 SLC9A1 (0.61) ALDH1A1HPGDKDM4ESLC9A1MAPT

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 ALDH1A1 297/4885HPGD 242/4885KDM4E 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.