SCHEMBL27449232

SCHEMBL27449232

CC(C)c1cc(N)cc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB1 P18505 1/20 0.38
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 1/20 0.32
GABRB2 P47870 1/20 0.31
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1989339 0.82 GABRA1 (0.46) GABRA1GABRB1ALDH1A1GAAALOX12
SCHEMBL2387700 0.82 GABRA1 (0.46) GABRA1GABRB1ALDH1A1GAAALOX12
SCHEMBL2377994 0.82 ALDH1A1 (0.41) GABRA1ALDH1A1GAAMAPTALOX12
SCHEMBL10890708 0.82 ALDH1A1 (0.41) GABRA1ALDH1A1GAAMAPTALOX12
Methane SCHEMBL27480899 0.79 ALDH1A1 (0.39) GABRA1ALDH1A1GAAMAPTALOX12
SCHEMBL30633552 0.76 GAA (0.35) ALDH1A1ALOX15MAPK1GAAMAPT
SCHEMBL2017939 0.76 GAA (0.35) ALDH1A1ALOX15MAPK1GAAMAPT
SCHEMBL24197604 0.76 GAA (0.31) GAAMAPT
Methoxymethane SCHEMBL28134919 0.75 ALDH1A1 (0.37) GABRA1ALDH1A1MAPK1GAAMAPT
SCHEMBL10204235 0.73 GABRA1 (0.39) GABRA1GABRB1ALDH1A1MAPK1HTT

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-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 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-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 GABRA1 4177/4885GABRB1 3667/4885ALDH1A1 4709/4885

“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.