SCHEMBL4884938

SCHEMBL4884938

CS(=O)(=O)O.Cc1nc(C(=O)Nc2ccc(Cl)cn2)c(C(=O)Nc2ccc(N3CCOC3=N)cc2)s1

nearest known ligand 0.42

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
F2 known ✓ P00734 1/20 0.40
F10 P00742 7/20 0.42
MAPK1 P28482 2/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
KLKB1 P03952 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
TSHR P16473 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
SCHEMBL8258622 0.97 F10 (0.44) F10MAPK1RAB9ANPC1TP53
SCHEMBL8256288 0.97 F10 (0.44) F10MAPK1RAB9ANPC1TP53
SCHEMBL4884191 0.87 F10 (0.45) F10MAPK1RAB9ANPC1TP53
SCHEMBL5229206 0.84 F2 (0.39) F10MAPK1RAB9ANPC1TP53
SCHEMBL4886052 0.84 F2 (0.48) F10MAPK1ALDH1A1F2KLKB1
SCHEMBL5229415 0.83 ALDH1A1 (0.34) F10MAPK1RAB9ANPC1TP53
SCHEMBL4880812 0.82 MAPT (0.49) F10MAPK1RAB9ANPC1TP53
SCHEMBL4878211 0.82 F10 (0.47) F10MAPK1RAB9ANPC1LMNA
SCHEMBL4882266 0.82 F10 (0.46) F10MAPK1RAB9ANPC1TP53
Bromide SCHEMBL4885344 0.81 F10 (0.46) F10MAPK1RAB9ANPC1LMNA

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 26/4885MAPK1 4138/4885

“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.