SCHEMBL30913744

SCHEMBL30913744

COc1nc(Cl)ccc1Nc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
NAMPT P43490 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
IGF1R P08069 1/20 0.41
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HDAC1 Q13547 3/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
ROCK2 O75116 1/20 0.39
BPTF Q12830 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL21207106 1.00 BRD4 (0.48) BRD4NAMPTGAAL3MBTL1MAPT
SCHEMBL20934709 0.79 BCHE (0.48) BRD4TDP1
SCHEMBL20763761 0.78 PDCD1LG2 (0.46) NAMPTGAA
SCHEMBL30913765 0.76 HRAS (0.66) BRD4NAMPTL3MBTL1MAPTTDP1
SCHEMBL21207104 0.76 HRAS (0.66) BRD4NAMPTL3MBTL1MAPTTDP1
SCHEMBL2177544 0.75 BRD4 (0.48) BRD4NAMPTGAAL3MBTL1MAPT
SCHEMBL3180689 0.74 L3MBTL1 (0.61) NAMPTGAAL3MBTL1MAPTTDP1
SCHEMBL27255820 0.74 GAA (0.45) NAMPTGAAL3MBTL1MAPTHDAC1
SCHEMBL31563705 0.74 BRD4 (0.42) BRD4NAMPTGAAL3MBTL1MAPT
SCHEMBL32662613 0.74 BRD4 (0.42) BRD4NAMPTGAAL3MBTL1MAPT

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-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 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-12024506-B2 Compounds KRAS, NRAS, HRAS BRD4 731/4885NAMPT 3792/4885GAA 1808/4885

“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.