SCHEMBL2443669

SCHEMBL2443669

O=C(Nc1cccs1)c1noc2cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HIF1A Q16665 13/20 0.44
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.42
SCD5 Q86SK9 1/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2437681 0.85 GAA (0.47) GAALMNAHIF1APOLBALOX15
SCHEMBL3526062 0.76 LMNA (0.46) LMNAHIF1ASCD5
SCHEMBL19900067 0.72 SCD5 (0.52) LMNAHIF1APOLBMEN1KMT2A
SCHEMBL3521624 0.72 HIF1A (0.59) LMNAHIF1AMEN1KMT2ARAB9A
SCHEMBL2439828 0.71 KMT2A (0.39) GAALMNAHPGDALOX12CASP3
SCHEMBL19793120 0.71 SCD5 (0.48) LMNAHIF1APOLBSCD5MAPT
SCHEMBL3520666 0.71 SMN1; SMN2 (0.53) GAALMNAHPGDPOLBMEN1
SCHEMBL30615477 0.71 MAPT (0.48) LMNAHPGDHIF1AMEN1KMT2A
SCHEMBL19793132 0.71 MAPT (0.48) LMNAHPGDHIF1AMEN1KMT2A
SCHEMBL3524477 0.69 SCD5 (0.47) LMNAHPGDHIF1AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893589-B1 SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-09-14 EP claimed
US-20080312301-A1 Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
US-20080312301-A1 Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof GRUENENTHAL GMBH (DE) 2008-12-18 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-20080312301-A1 Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof HTR5A, NPY5R, GRM5 GAA 4048/4885LMNA 2912/4885HPGD 887/4885

“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.