SCHEMBL31428906

SCHEMBL31428906

CC(=O)N1/C(=C\c2cc(-c3ccccc3C(=O)O)c3cc(C(=O)N4CCOCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
MYC P01106 1/20 0.40
PLAUR Q03405 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 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
SCHEMBL31428666 0.91 PDCD1 (0.48) HPGDPDCD1CD274PLAURCYP1A2
SCHEMBL31428782 0.91 PDCD1 (0.49) HPGDPDCD1CD274PLAURCYP1A2
SCHEMBL31428973 0.91 PDCD1 (0.44) HPGDPDCD1CD274PLAURALDH1A1
SCHEMBL31428789 0.91 PDCD1 (0.46) HPGDPDCD1CD274PLAURALDH1A1
SCHEMBL31428944 0.90 PDCD1 (0.38) HPGDPDCD1CD274PLAURCYP1A2
SCHEMBL31428624 0.90 PDCD1 (0.48) HPGDPDCD1CD274PLAURALDH1A1
SCHEMBL31428927 0.89 HPGD (0.42) HPGDPDCD1CD274PLAURALDH1A1
SCHEMBL31428603 0.89 HPGD (0.43) HPGDPDCD1CD274PLAURCYP1A2
SCHEMBL31428898 0.88 PDCD1 (0.46) HPGDPDCD1CD274PLAURALDH1A1
SCHEMBL31428676 0.88 PDCD1 (0.45) HPGDPDCD1CD274PLAURCYP3A4

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.