SCHEMBL21576963

SCHEMBL21576963

Cc1nc(CCC(=O)C(C)CCn2nccc2CCC(=O)C(C)C)cs1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SLC6A3 Q01959 2/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6296552 0.78 SMN1; SMN2 (0.47) PKMSMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL22572293 0.71 RAB9A (0.38) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL21576210 0.68 KMT2A (0.45) ALDH1A1HTTKMT2APOLBMAPK1
SCHEMBL20362421 0.67 MAPK1 (0.37) KMT2AMAPK1
SCHEMBL21576961 0.67 MAPK1 (0.34) MAPK1
SCHEMBL24158705 0.66 HSD17B10 (0.34) SMN1; SMN2ALDH1A1HTTKMT2APOLB
SCHEMBL20362416 0.66 MAPK1 (0.36) KMT2AMAPK1
SCHEMBL12158564 0.65 SMN1; SMN2 (0.54) PKMSMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL6302701 0.64 SLC6A3 (0.43) SMN1; SMN2NPC1ALDH1A1SLC6A3KMT2A
SCHEMBL8538449 0.63 MAPT (0.54) PKMSMN1; SMN2MAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 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 (1 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 PKM 2924/4885SMN1; SMN2 1771/4885MAPT 3361/4885

“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.