SCHEMBL31258396

SCHEMBL31258396

COC(=O)c1cncc(C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMO O15229 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
LMNA P02545 1/20 0.40
OPRK1 P41145 2/20 0.40
NPC1 O15118 1/20 0.40
EPHX2 P34913 1/20 0.40
NAMPT P43490 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL17067734 0.95 ATM (0.54) ATMALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL17067735 0.92 ATM (0.57) ATMALDH1A1SMN1; SMN2L3MBTL1CYP2A6
SCHEMBL31705854 0.85 ATM (0.50) ATMALDH1A1CYP2A6CYP11B2CYP11B1
SCHEMBL31705294 0.85 ATM (0.50) ATMALDH1A1CYP2A6CYP11B2CYP11B1
SCHEMBL31704913 0.85 ATM (0.50) ATMALDH1A1CYP2A6CYP11B2CYP11B1
SCHEMBL8619431 0.82 HSD17B10 (0.50) ATMALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL28280560 0.82 ATM (0.53) ATMALDH1A1SMN1; SMN2L3MBTL1CYP2A6
SCHEMBL31706262 0.81 ATM (0.46) ATMALDH1A1SMN1; SMN2NPSR1CYP11B2
SCHEMBL4128802 0.81 ATM (0.46) ATMALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL10068936 0.80 HSD17B10 (0.51) ATMALDH1A1SMN1; SMN2NPSR1L3MBTL1

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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION BCL9, BCL9L, BCL2L11 ATM 3952/4885ALDH1A1 3559/4885SMN1; SMN2 3963/4885

“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.