SCHEMBL376628

SCHEMBL376628

COC1(Cc2ccccc2Br)CCC(N2CCN(C(=NC#N)SC)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 8/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CCR5 P51681 1/20 0.37
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.32
SLC6A4 P31645 3/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MGLL Q99685 2/20 0.30

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
SCHEMBL376627 1.00 MAPT (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL377039 0.90 ALDH1A1 (0.47) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL377038 0.90 ALDH1A1 (0.47) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL376424 0.89 MAPT (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL376371 0.89 MAPT (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL376425 0.89 MAPT (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL376372 0.89 MAPT (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL381716 0.87 MAPT (0.49) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL381715 0.87 MAPT (0.49) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL376786 0.76 KDM1A (0.45) ALDH1A1MEN1KMT2AKDM4EGAA

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 4 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-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 4433/4885HTT 2129/4885ALDH1A1 2354/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD MAPT 4433/4885HTT 2129/4885ALDH1A1 2354/4885

“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.