SCHEMBL4882152

SCHEMBL4882152

CS(=O)(=O)O.N#Cc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(N3CCOC3=N)cc2)nc1

nearest known ligand 0.39

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
KMT2A Q03164 2/20 0.38
LRRK2 Q5S007 1/20 0.38
NPC1 O15118 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
UBE2N P61088 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR9 Q9NR96 1/20 0.37
MEN1 O00255 1/20 0.37
BACE1 P56817 6/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
F10 P00742 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36

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
SCHEMBL8260824 0.96 KMT2A (0.40) KMT2ALRRK2NPC1RAB9AMEN1
SCHEMBL4886035 0.92 SCN5A (0.39) LRRK2NPC1MITFALDH1A1LMNA
SCHEMBL4884191 0.88 F10 (0.45) KMT2ANPC1MITFALDH1A1LMNA
SCHEMBL4876034 0.88 NPC1 (0.40) KMT2ANPC1MITFALDH1A1LMNA
SCHEMBL8259326 0.87 RET (0.40) LRRK2NPC1ALDH1A1MAPTRAB9A
SCHEMBL4885304 0.85 RAB9A (0.39) KMT2ANPC1MITFALDH1A1LMNA
SCHEMBL5236143 0.84 RAB9A (0.43) KMT2ANPC1ALDH1A1TP53MAPT
SCHEMBL4878211 0.83 F10 (0.47) KMT2ANPC1LMNAMAPK1RAB9A
SCHEMBL4882266 0.83 F10 (0.46) KMT2ANPC1MITFALDH1A1LMNA
SCHEMBL5231707 0.83 SIRT2 (0.34) LRRK2NPC1MITFALDH1A1LMNA

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 KMT2A 3720/4885LRRK2 4273/4885NPC1 1777/4885

“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.