SCHEMBL26085557

SCHEMBL26085557

COC(=O)c1cc2n(c1)CCCC(C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HSP90AA1 P07900 2/20 0.36

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
SCHEMBL26085553 0.92 ALDH1A1 (0.48) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21570229 0.86 HSD17B10 (0.42) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21570249 0.85 HSD17B10 (0.41) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL26085556 0.84 USP2 (0.42) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21570137 0.80 KDM4E (0.39) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21570233 0.79 SMN1; SMN2 (0.41) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21570102 0.79 KDM4E (0.39) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1393185 0.78 SMN1; SMN2 (0.43) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL26085875 0.77 SMN1; SMN2 (0.44) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL26085552 0.75 USP2 (0.47) KDM4EALDH1A1NPC1RAB9AMAPT

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 2 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

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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885ALDH1A1 1991/4885NPC1 963/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KDM4E 2079/4885ALDH1A1 1991/4885NPC1 963/4885

“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.