SCHEMBL4873919

SCHEMBL4873919

CS(=O)(=O)O.N=C1OCCN1c1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.54

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
MAPT P10636 9/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 3/20 0.48
NTSR1 P30989 1/20 0.47
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
UBE2N P61088 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
SCHEMBL5231653 0.95 MAPT (0.56) MAPTKDM4EALDH1A1NTSR1MAPK1
SCHEMBL4880812 0.95 MAPT (0.49) MAPTKDM4EALDH1A1NTSR1MAPK1
SCHEMBL8259782 0.90 MAPT (0.51) MAPTKDM4EALDH1A1NTSR1MAPK1
SCHEMBL5239924 0.85 MAPT (0.40) MAPTKDM4EALDH1A1NTSR1MAPK1
SCHEMBL5237059 0.82 MAPT (0.37) MAPTKDM4EALDH1A1NTSR1MAPK1
SCHEMBL4884191 0.82 F10 (0.45) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL3618572 0.80 NPC1 (0.43) MAPTKDM4EALDH1A1MAPK1ATM
SCHEMBL4882290 0.80 F10 (0.43) MAPTATMSMN1; SMN2GAAKMT2A
SCHEMBL4873912 0.78 SCN9A (0.39) MAPTKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL4882266 0.77 F10 (0.46) MAPTKDM4EALDH1A1MAPK1TDP1

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 MAPT 4803/4885KDM4E 3856/4885ALDH1A1 348/4885

“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.