SCHEMBL27052003

SCHEMBL27052003

CC(C)c1c(C2CC2)c(Cl)cc2nc(N)sc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 1/20 0.39
SCN4A P35499 1/20 0.39
RAB9A P51151 1/20 0.39
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL27051993 0.87 SMN1; SMN2 (0.46) SMN1; SMN2NPC1SCN4ARAB9AUSP2
SCHEMBL27052004 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1SCN4ARAB9AGAA
SCHEMBL27052016 0.82 HSD17B10 (0.40) SMN1; SMN2NPC1SCN4ARAB9AUSP2
SCHEMBL27051920 0.78 ALDH1A1 (0.45) SMN1; SMN2NPC1SCN4ARAB9ACCNT1
SCHEMBL27052005 0.77 SMN1; SMN2 (0.41) SMN1; SMN2NPC1SCN4ARAB9ACCNT1
SCHEMBL27052002 0.76 SMN1; SMN2 (0.40) SMN1; SMN2NPC1SCN4ARAB9AMAPT
SCHEMBL27052011 0.75 SMN1; SMN2 (0.39) SMN1; SMN2NPC1SCN4ARAB9AUSP2
SCHEMBL27051958 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NPC1SCN4ARAB9ACCNT1
SCHEMBL27051813 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NPC1SCN4ARAB9AALDH1A1
SCHEMBL27051983 0.72 SMN1; SMN2 (0.41) SMN1; SMN2NPC1SCN4ARAB9AMAPT

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 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-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS SMN1; SMN2 3857/4885NPC1 3197/4885SCN4A 4133/4885

“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.