SCHEMBL376854

SCHEMBL376854

COC1(Cc2ccccc2Cl)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP2A13 Q16696 1/20 0.35
POLB P06746 2/20 0.34
C5AR1 P21730 3/20 0.34
IDO1 P14902 3/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33

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
SCHEMBL376813 0.84 MAPK1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL377003 0.83 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL4821650 0.79 MAOA (0.38) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL376355 0.78 ALDH1A1 (0.42) ALDH1A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL376843 0.77 POLB (0.38) ALDH1A1MEN1CYP2C9KMT2AL3MBTL1
SCHEMBL13503546 0.73 SLC6A2 (0.36) ALDH1A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8990351 0.69 C5AR1 (0.45) ALDH1A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL376739 0.68 KMT2A (0.39) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL24711860 0.66 POLB (0.31) ALDH1A1MEN1KMT2APOLB
SCHEMBL14677605 0.66

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 ALDH1A1 2354/4885MEN1 4383/4885CYP3A4 3801/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD ALDH1A1 2354/4885MEN1 4383/4885CYP3A4 3801/4885

“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.