SCHEMBL31428804

SCHEMBL31428804

CC(C)(C)OC(=O)c1ccc2nc(C=O)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL24977227 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDALOX15HTT
SCHEMBL16620892 0.84 HTT (0.56) KDM4EALDH1A1ALOX15HTTNPC1
SCHEMBL31429017 0.81 MEN1 (0.51) KDM4EALDH1A1ALOX15HTTNPC1
SCHEMBL16621169 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4987847 0.80 NCF1 (0.46) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL4808901 0.80 CA12 (0.43) ALDH1A1ALOX15NPC1RAB9AGABRA1
SCHEMBL31428966 0.80 MEN1 (0.50) KDM4EHPGDNPC1RAB9AHDAC4
SCHEMBL8390404 0.78 GABRA1 (0.50) KDM4EALOX15NPC1RAB9AGABRA1
SCHEMBL909531 0.78 CA12 (0.43) KDM4EALDH1A1HPGDALOX15HTT
SCHEMBL3814715 0.78 ALOX15 (0.40) KDM4EALDH1A1ALOX15HTTNPC1

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS KDM4E 2663/4885ALDH1A1 2352/4885HPGD 4233/4885

“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.