SCHEMBL31428874

SCHEMBL31428874

CC(=O)N1/C(=C\c2cc(-c3cccc4cccnc34)c3cc(C(=O)O)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FABP1 P07148 3/20 0.41
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CES1 P23141 1/20 0.35
MMP9 P14780 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34

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
SCHEMBL31428880 0.91 ALDH1A1 (0.43) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL24977060 0.90 HTT (0.37) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL31428665 0.90 HTT (0.37) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL31428878 0.88 MAPT (0.44) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL31428889 0.88 PDCD1 (0.41) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL31428638 0.86 ALDH1A1 (0.44) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL31428974 0.85 MAPT (0.41) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL31428957 0.84 ALDH1A1 (0.43) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL31428569 0.84 ALDH1A1 (0.44) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL31428736 0.83 ALDH1A1 (0.42) ALDH1A1HTTMAPTSMN1; SMN2MAPK1

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 ALDH1A1 2352/4885HTT 4442/4885MAPT 4513/4885

“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.