SCHEMBL3621990

SCHEMBL3621990

CS(=O)(=O)O.Cn1cc(C(=O)Nc2ccc(N3CCOC3=N)cc2)c(NC(=O)c2ccc(Cl)cn2)n1

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
SLC6A3 known ✓ Q01959 1/20 0.39
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
F10 P00742 4/20 0.39
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
BACE1 P56817 4/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
KLKB1 P03952 1/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR3C1 P04150 3/20 0.37
GRM4 Q14833 1/20 0.37
NPC1 O15118 2/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8247423 0.97 LMNA (0.42) LMNAPOLBF10SLC6A3KCNH2
SCHEMBL3617418 0.86 F10 (0.45) F10RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4666957 0.84 LMNA (0.38) LMNAPOLBF10SLC6A3KCNH2
SCHEMBL8238032 0.82 F10 (0.47) F10RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4882290 0.82 F10 (0.43) LMNAPOLBF10RAB9AMAPT
SCHEMBL3621443 0.82 F10 (0.42) F10SLC6A3KCNH2TAAR1BACE1
SCHEMBL8256342 0.78 RAB9A (0.45) LMNAPOLBF10RAB9AMAPT
SCHEMBL8242181 0.78 F10 (0.44) F10SLC6A3KCNH2TAAR1BACE1
SCHEMBL4634074 0.77 GCGR (0.38) F10SLC6A3KCNH2TAAR1BACE1
SCHEMBL4884191 0.77 F10 (0.45) LMNAF10KLKB1RAB9AMAPT

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-20100004292-A1 Iminooxazolidine Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2010-01-07 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-20100004292-A1 Iminooxazolidine Derivatives and Their Use PPOX, XDH, PNPO SLC6A3 3978/4885LMNA 578/4885POLB 1225/4885

“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.