SCHEMBL31428696

SCHEMBL31428696

CC(=O)N1/C(=C/c2ncc(C(=O)N3CCOCC3)s2)C(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
RIPK1 Q13546 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
CES1 P23141 1/20 0.39
OGA O60502 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
PLAUR Q03405 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL31428930 0.81 HTR2C (0.50) HTR2CALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL31428524 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL30163476 0.79 HPGD (0.45) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL30163515 0.79 HPGD (0.46) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL30163504 0.79 HPGD (0.45) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL30163519 0.79 HPGD (0.46) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31428475 0.78 ALDH1A1 (0.59) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31428704 0.74 ALDH1A1 (0.52) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31429006 0.73 HPGD (0.47) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31429038 0.73 SMN1; SMN2 (0.45) ALDH1A1MAPTHTTSMN1; 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 HTR2C 4858/4885ALDH1A1 2352/4885MAPT 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.