SCHEMBL4881573

SCHEMBL4881573

CS(=O)(=O)O.N=C1OCCN1c1ccc(N(C(=O)c2sccc2C(N)=O)c2ccc(Cl)cn2)cc1

nearest known ligand 0.34

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 16)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 1/20 0.33
SCN9A Q15858 6/20 0.34
F10 P00742 1/20 0.32
KLKB1 P03952 1/20 0.32
CSF1R P07333 1/20 0.32
SCN5A Q14524 4/20 0.31
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
USP2 O75604 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5238888 0.95 F2 (0.33) SCN9AF2F10KLKB1CSF1R
SCHEMBL4886660 0.84 ROCK2 (0.30)
SCHEMBL5229677 0.79 F10 (0.31) F10KLKB1
SCHEMBL5236615 0.76 F10 (0.37) SCN9AF2F10KLKB1MAPT
SCHEMBL5236052 0.74 F10 (0.45) F2F10KLKB1ALDH1A1
SCHEMBL4886052 0.74 F2 (0.48) F2F10KLKB1ALDH1A1MEN1
SCHEMBL4885429 0.69 F10 (0.37) F2F10KLKB1MAPTTP53
SCHEMBL4881570 0.69 F2 (0.39) F2F10KLKB1MAPTTP53
SCHEMBL5237784 0.69 F2 (0.49) F2F10KLKB1SMN1; SMN2
SCHEMBL4877161 0.69 CHEK1 (0.31)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214533-A1 Cyclic Iminocarbamates And Their Use BAYER HEALTHCARE AG (DE) 2008-09-04 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-20080214533-A1 Cyclic Iminocarbamates And Their Use F2, UQCRB, F12 F2 1/4885SCN9A 939/4885F10 26/4885

“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.