SCHEMBL31429006

SCHEMBL31429006

CC(=O)N1/C(=C\c2ccc3ccc(C(=O)N4CCOCC4)cc3n2)C(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
PDCD1 Q15116 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KMT2A Q03164 2/20 0.38
PDE4B Q07343 1/20 0.38
PLAUR Q03405 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL31428538 0.94 HPGD (0.46) HPGDPDCD1CD274ALDH1A1MAPT
SCHEMBL31428782 0.86 PDCD1 (0.49) HPGDPDCD1CD274ALDH1A1MAPT
SCHEMBL30163475 0.86 L3MBTL3 (0.42) HPGDPDCD1CD274ALDH1A1MAPT
SCHEMBL31428603 0.85 HPGD (0.43) HPGDPDCD1CD274ALDH1A1MAPT
SCHEMBL31428524 0.85 ALDH1A1 (0.47) HPGDPDCD1CD274ALDH1A1MAPT
SCHEMBL31428624 0.85 PDCD1 (0.48) HPGDPDCD1CD274ALDH1A1MAPT
SCHEMBL31428666 0.85 PDCD1 (0.48) HPGDPDCD1CD274ALDH1A1MAPT
SCHEMBL31428617 0.85 ALDH1A1 (0.45) HPGDALDH1A1MAPTMAPK1HTT
SCHEMBL31429062 0.84 ALDH1A1 (0.41) HPGDPDCD1CD274ALDH1A1MAPT
SCHEMBL31428973 0.84 PDCD1 (0.44) HPGDPDCD1CD274ALDH1A1MAPT

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 HPGD 4233/4885PDCD1 1360/4885CD274 1903/4885

“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.