SCHEMBL31428852

SCHEMBL31428852

CC(=O)N1/C(=C/c2nc3cc(/C=C/C(=O)N4CCOCC4)ccc3s2)C(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 6/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.41
MAOB P27338 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
APP P05067 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ICAM1 P05362 3/20 0.38
ITGB2 P05107 2/20 0.38

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
SCHEMBL30163490 1.00 RAB9A (0.42) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL30163522 0.94 RAB9A (0.42) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL30163476 0.85 HPGD (0.45) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL30163504 0.85 HPGD (0.45) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL31428618 0.82 ALDH1A1 (0.45) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL30163519 0.80 HPGD (0.46) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL30163515 0.80 HPGD (0.46) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL31429114 0.79 RAB9A (0.54) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL31428378 0.78 MAPT (0.53) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL31428887 0.76 PDCD1 (0.41) ALDH1A1SMN1; SMN2MAPTHTTTDP1

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 RAB9A 67/4885ALDH1A1 2352/4885NPC1 3237/4885

“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.