SCHEMBL4886035

SCHEMBL4886035

CS(=O)(=O)O.N#Cc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(N3CCOC3=N)cc2)cc1

nearest known ligand 0.40

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
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39
TLR9 Q9NR96 1/20 0.39
LRRK2 Q5S007 1/20 0.37
RET P07949 1/20 0.37
POLB P06746 1/20 0.36
PANK3 Q9H999 1/20 0.36
CD38 P28907 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
SCHEMBL8259326 0.95 RET (0.40) SCN5ASCN9ANPC1MAPTALDH1A1
SCHEMBL4882152 0.92 KMT2A (0.38) NPC1MAPTALDH1A1TP53LMNA
SCHEMBL4885304 0.90 RAB9A (0.39) NPC1MAPTALDH1A1TP53LMNA
SCHEMBL5232007 0.87 LMNA (0.39) SCN5ASCN9AMAPTALDH1A1LMNA
SCHEMBL8260824 0.87 KMT2A (0.40) NPC1RAB9ALRRK2RET
SCHEMBL8256205 0.85 RET (0.40) NPC1MAPTALDH1A1RAB9ARET
SCHEMBL5231707 0.83 SIRT2 (0.34) SCN5ASCN9ANPC1MAPTALDH1A1
SCHEMBL4876034 0.82 NPC1 (0.40) NPC1MAPTALDH1A1TP53LMNA
SCHEMBL4884191 0.82 F10 (0.45) NPC1MAPTALDH1A1TP53LMNA
SCHEMBL3618572 0.79 NPC1 (0.43) NPC1MAPTALDH1A1TP53LMNA

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 SCN5A 1637/4885SCN9A 939/4885NPC1 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.