SCHEMBL31428680

SCHEMBL31428680

Brc1cccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.43
GABRB3 P28472 6/20 0.43
GABRA5 P31644 6/20 0.43
GABRA3 P34903 6/20 0.43
GABRA1 P14867 3/20 0.43
KCNH2 Q12809 2/20 0.42
BIRC5 O15392 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40
IDO1 P14902 2/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
METAP2 P50579 1/20 0.36

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
SCHEMBL70574 0.84 L3MBTL1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29771432 0.81 L3MBTL1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8808292 0.79 TRIM24 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL511015 0.77 ALDH1A1 (0.38) TSHRKMT2AALDH1A1HPGD
SCHEMBL27869499 0.76 L3MBTL1 (0.52) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL29771434 0.74 CREBBP (0.35) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1750818 0.74 NR3C1 (0.38) KCNH2NPC1RAB9AMAPTMEN1
SCHEMBL9058051 0.74 SLC2A1 (0.39) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8814676 0.73 L3MBTL1 (0.40) KCNH2TSHRALDH1A1
SCHEMBL3847825 0.73 SMN1; SMN2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1

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 GABRG2 1605/4885GABRB3 1536/4885GABRA5 1778/4885

“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.