SCHEMBL21576892

SCHEMBL21576892

Cc1cnn(CCC(=O)C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 5/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
PLAA Q9Y263 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 2/20 0.36
KLKB1 P03952 4/20 0.35
MAPT P10636 1/20 0.34
SPR P35270 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL22572234 0.86 LMNA (0.50) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL21576891 0.82 HSD17B10 (0.44) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL10175541 0.81 LMNA (0.54) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL6937303 0.81 LMNA (0.54) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL19087158 0.79 SMN1; SMN2 (0.52) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL25483174 0.79 CRHR1 (0.39) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL26085647 0.78 LMNA (0.55) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL23193869 0.77 LMNA (0.44) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL18534152 0.77 LMNA (0.53) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL19087047 0.77 HTT (0.60) LMNAHTTSMN1; SMN2GAAKMT2A

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
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
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 (4 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 LMNA 1458/4885HTT 2323/4885SMN1; SMN2 1771/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 LMNA 1458/4885HTT 2323/4885SMN1; SMN2 1771/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 LMNA 1458/4885HTT 2323/4885SMN1; SMN2 1771/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 LMNA 1458/4885HTT 2323/4885SMN1; SMN2 1771/4885

“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.