SCHEMBL376658

SCHEMBL376658

COC1(Cc2ccccc2Br)CCC(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.37
CYP27A1 Q02318 1/20 0.36
CYP24A1 Q07973 1/20 0.36
IDO1 P14902 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX5 P09917 1/20 0.33
PYCR1 P32322 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA3 P22001 2/20 0.32
KDM4E B2RXH2 1/20 0.32
P2RX7 Q99572 1/20 0.32
STS P08842 1/20 0.31

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
SCHEMBL376968 0.83 MEN1 (0.36) TAAR1CYP24A1MEN1KMT2ACYP2C9
SCHEMBL376839 0.82 KMT2A (0.36) TAAR1IDO1MEN1KMT2ACYP2C9
SCHEMBL376843 0.82 POLB (0.38) IDO1MEN1KMT2ACYP2C9ALDH1A1
SCHEMBL14028709 0.79 TAAR1 (0.37) TAAR1CYP27A1CYP24A1IDO1KMT2A
SCHEMBL4825666 0.78 HSD17B3 (0.44) MEN1KMT2ACYP2C9ALOX5KCNA3
SCHEMBL376997 0.77 TAAR1 (0.35) TAAR1IDO1PYCR1ALDH1A1
SCHEMBL13503552 0.75 TAAR1 (0.34) TAAR1CYP27A1CYP24A1IDO1PYCR1
SCHEMBL11793984 0.70 ALOX5 (0.40) MEN1KMT2ACYP2C9ALOX5ALDH1A1
SCHEMBL376343 0.70 ALDH1A1 (0.41) KMT2AALDH1A1SMN1; SMN2
SCHEMBL29003574 0.69 TAAR1 (0.42) TAAR1CYP27A1CYP24A1IDO1P2RX7

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 8 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-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
EP-1765778-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-03-28 EP disclosed
WO-2005117543-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-12-15 WO 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 TAAR1 4636/4885CYP27A1 1837/4885CYP24A1 3982/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD TAAR1 4636/4885CYP27A1 1837/4885CYP24A1 3982/4885

“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.