SCHEMBL376843

SCHEMBL376843

COC1(Cc2ccccc2Cl)CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
IDO1 P14902 3/20 0.35
CYP2C9 P11712 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PNMT P11086 1/20 0.34

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
SCHEMBL376658 0.82 TAAR1 (0.37) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL376839 0.82 KMT2A (0.36) POLBALDH1A1NPC1RAB9AMEN1
SCHEMBL4825666 0.78 HSD17B3 (0.44) MEN1KMT2ACYP2C9GRIN2B
SCHEMBL376854 0.77 ALDH1A1 (0.38) POLBALDH1A1NPC1RAB9AMEN1
SCHEMBL13503546 0.75 SLC6A2 (0.36) POLBALDH1A1HSD11B1MEN1KMT2A
SCHEMBL376739 0.70 KMT2A (0.39) POLBALDH1A1MEN1KMT2ACYP2C9
SCHEMBL29003558 0.69 RAB9A (0.41) ALDH1A1NPC1RAB9AGAAHSD11B1
SCHEMBL13681436 0.66 ACAT2 (0.36) MEN1KMT2ACYP2C9MAPT
SCHEMBL14676314 0.65 ACACB (0.32)
SCHEMBL27480359 0.65 ALDH1A1 (0.43) POLBALDH1A1NPC1RAB9AGAA

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 POLB 151/4885ALDH1A1 2354/4885NPC1 2295/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD POLB 151/4885ALDH1A1 2354/4885NPC1 2295/4885

“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.