SCHEMBL31428635

SCHEMBL31428635

CC(=O)N1/C(=C\c2cc(-c3ccccc3-c3ccccc3)c3cc(C(=O)N4CCN(C5COC5)CC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
ACACB O00763 8/20 0.36
ACACA Q13085 8/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MGLL Q99685 3/20 0.35
HPGD P15428 3/20 0.35
LRRK2 Q5S007 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31428613 0.96 PDCD1 (0.38) PDCD1CD274ACACBACACAALDH1A1
SCHEMBL31428556 0.93 PDCD1 (0.37) PDCD1CD274ACACBACACAALDH1A1
SCHEMBL31428701 0.92 ALDH1A1 (0.35) PDCD1CD274ACACBACACAALDH1A1
SCHEMBL31428450 0.91 ACACB (0.34) PDCD1CD274ACACBACACAALDH1A1
SCHEMBL31429054 0.89 LRRK2 (0.34) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428666 0.89 PDCD1 (0.48) PDCD1CD274ALDH1A1MAPTMAPK1
SCHEMBL31428769 0.89 LRRK2 (0.34) PDCD1CD274ACACBALDH1A1MAPT
SCHEMBL31428454 0.89 ALDH1A1 (0.47) PDCD1CD274ALDH1A1MAPTMAPK1
SCHEMBL31428674 0.87 ALDH1A1 (0.40) PDCD1CD274ACACBACACAALDH1A1
SCHEMBL31428831 0.86 HPGD (0.40) PDCD1CD274ACACBACACAALDH1A1

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 PDCD1 1360/4885CD274 1903/4885ACACB 3303/4885

“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.