SCHEMBL376500

SCHEMBL376500

COC1(Cc2ccccc2Cl)CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KDM1A O60341 1/20 0.45
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
STS P08842 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GPR119 Q8TDV5 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL376991 0.89 POLB (0.46) MAPTSTSACACBACACAALDH1A1
SCHEMBL376926 0.88 GPR119 (0.48) MAPTKDM1AMEN1KMT2AACACB
SCHEMBL376786 0.88 KDM1A (0.45) KDM1ASTSMEN1KMT2AACACB
SCHEMBL4818025 0.86 STS (0.47) KEAP1NFE2L2STSACACBACACA
SCHEMBL376739 0.78 KMT2A (0.39) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL30077045 0.77 ALDH1A1 (0.54) MAPTKDM1AKEAP1NFE2L2MEN1
SCHEMBL12685357 0.77 ALDH1A1 (0.54) MAPTKDM1AKEAP1NFE2L2MEN1
SCHEMBL376424 0.76 MAPT (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8111261 0.75 GPR119 (0.49) MAPTKDM1AMEN1KMT2AALDH1A1
SCHEMBL5202400 0.74 MAPT (0.46) MAPTKDM1AKEAP1NFE2L2STS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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 (2 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD MAPT 4433/4885KDM1A 1671/4885KEAP1 2043/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD MAPT 4433/4885KDM1A 1671/4885KEAP1 2043/4885

“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.