SCHEMBL13503545

SCHEMBL13503545

CC(C)N[C@@H](CSc1ccccc1)CC(=O)N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
FKBP1A P62942 1/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
USP2 O75604 1/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNA1B Q00975 2/20 0.41
CACNB1 Q02641 2/20 0.41
CACNA1C Q13936 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL13503683 0.88 SMN1; SMN2 (0.48) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13504022 0.88 FKBP1A (0.45) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1540649 0.80 FKBP1A (0.47) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1540647 0.80 CACNA2D1 (0.47) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19145341 0.79 ALDH1A1 (0.45) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14223693 0.79 SMN1; SMN2 (0.47) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19145283 0.78 ALDH1A1 (0.44) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2949765 0.78 SMN1; SMN2 (0.48) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2949763 0.78 SMN1; SMN2 (0.48) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13503551 0.78 MEN1 (0.41) NPC1RAB9AMEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD HSD17B10 1723/4885SMN1; SMN2 328/4885NPC1 1851/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD HSD17B10 2296/4885SMN1; SMN2 808/4885NPC1 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.