SCHEMBL4886052

SCHEMBL4886052

CS(=O)(=O)O.N=C1OCCN1c1ccc(NC(=O)c2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1

nearest known ligand 0.48

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 14)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 7/20 0.48
F10 P00742 11/20 0.47
KLKB1 P03952 2/20 0.46
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5237784 0.96 F2 (0.49) F2F10KLKB1SMN1; SMN2
SCHEMBL8260892 0.96 F2 (0.49) F2F10KLKB1SMN1; SMN2
SCHEMBL4884191 0.85 F10 (0.45) F2F10KLKB1MEN1KMT2A
SCHEMBL4884938 0.84 F10 (0.42) F2F10KLKB1MEN1KMT2A
SCHEMBL5236052 0.83 F10 (0.45) F2F10KLKB1MAPK1KDM4E
SCHEMBL5236615 0.82 F10 (0.37) F2F10KLKB1MEN1KMT2A
SCHEMBL4880812 0.80 MAPT (0.49) F10KLKB1MEN1KMT2ASMN1; SMN2
SCHEMBL8256288 0.80 F10 (0.44) F2F10KLKB1SMN1; SMN2MAPK1
SCHEMBL8258622 0.80 F10 (0.44) F2F10KLKB1SMN1; SMN2MAPK1
SCHEMBL4882266 0.80 F10 (0.46) F10KLKB1MEN1KMT2ASMN1; SMN2

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 1/4885F10 26/4885KLKB1 2528/4885

“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.