SCHEMBL4946322

SCHEMBL4946322

CS(=O)(=O)O.N=C(N)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.57

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
SLC9A1 P19634 1/20 0.57
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
MAPT P10636 6/20 0.54
MAPK1 P28482 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
MGAM O43451 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
THRB P10828 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
APAF1 O14727 1/20 0.48

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 0.82 ALDH1A1 (0.55) SLC9A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4948246 0.81 RAB9A (0.54) SLC9A1NPC1RAB9AALDH1A1MEN1
SCHEMBL4939604 0.81 ALDH1A1 (0.56) SLC9A1NPC1RAB9AALDH1A1MAPT
Nitrafudam SCHEMBL29385280 0.79 SLC9A1 (0.67) SLC9A1NPC1RAB9AALDH1A1MEN1
SCHEMBL4936883 0.79 SMN1; SMN2 (0.61) SLC9A1RAB9AALDH1A1MAPTMAPK1
SCHEMBL4944299 0.78 S1PR4 (0.51) SLC9A1NPC1ALDH1A1MEN1KMT2A
Nitrafudam SCHEMBL121333 0.78 SLC9A1 (0.66) SLC9A1NPC1RAB9AALDH1A1MEN1
SCHEMBL11487837 0.77 NPC1 (0.60) SLC9A1NPC1RAB9AALDH1A1MEN1
SCHEMBL4946626 0.76 SLC9A1 (0.58) SLC9A1RAB9AALDH1A1MEN1KMT2A
SCHEMBL9476229 0.75 SLC9A1 (0.65) SLC9A1NPC1RAB9AALDH1A1MEN1

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 SLC9A1 1/4885NPC1 352/4885RAB9A 699/4885

“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.