SCHEMBL4880798

SCHEMBL4880798

CS(=O)(=O)O.N=C1OCCN1c1ccc(NC(=O)c2c(C(N)=O)ncn2-c2ccc(Cl)cn2)cc1

nearest known ligand 0.38

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
SLC6A3 known ✓ Q01959 1/20 0.33
RAB9A P51151 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
UBE2N P61088 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
F10 P00742 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
SCN9A Q15858 1/20 0.35
PANK3 Q9H999 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
CPT1A P50416 1/20 0.33

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
SCHEMBL4873912 0.92 SCN9A (0.39) RAB9AHTTMAPTLMNAALDH1A1
SCHEMBL4884191 0.79 F10 (0.45) RAB9AHTTMAPTLMNAALDH1A1
SCHEMBL4885429 0.75 F10 (0.37) RAB9AHTTMAPTLMNAALDH1A1
SCHEMBL4881570 0.75 F2 (0.39) RAB9AHTTMAPTLMNAALDH1A1
SCHEMBL3618572 0.74 NPC1 (0.43) RAB9AHTTMAPTLMNAALDH1A1
SCHEMBL4882266 0.74 F10 (0.46) RAB9AHTTMAPTLMNAALDH1A1
SCHEMBL4878211 0.74 F10 (0.47) RAB9ALMNANPC1MAPK1F10
SCHEMBL4873919 0.74 MAPT (0.54) RAB9AHTTMAPTLMNAALDH1A1
SCHEMBL4882290 0.73 F10 (0.43) RAB9AMAPTLMNANPC1F10
SCHEMBL4880812 0.73 MAPT (0.49) RAB9AHTTMAPTLMNAALDH1A1

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 SLC6A3 4712/4885RAB9A 2655/4885HTT 3536/4885

“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.