SCHEMBL2767903

SCHEMBL2767903

CN(C)c1ccc(NC(=S)Nc2noc3ccc(Br)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
HIF1A Q16665 1/20 0.45
PTGES O14684 1/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 2/20 0.40
EGFR P00533 3/20 0.39
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 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
SCHEMBL2768326 0.83 HIF1A (0.60) NPC1HIF1APTGESKMT2AMAPT
SCHEMBL2784887 0.76 HIF1A (0.39) NPC1NCOA1NCOA3HIF1AKMT2A
SCHEMBL2768775 0.75 ALDH1A1 (0.46) KMT2AMAPTGAAALDH1A1CYP1A2
SCHEMBL2767906 0.74 HIF1A (0.47) NPC1NCOA1NCOA3HIF1AKMT2A
SCHEMBL2768041 0.73 ALDH1A1 (0.53) NPC1KMT2AMAPTGAAALDH1A1
SCHEMBL7899809 0.72 ALDH1A1 (0.58) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL5451796 0.71 ALDH1A1 (0.70) NPC1PTGESKMT2AMAPTGAA
SCHEMBL2768457 0.71 ALDH1A1 (0.52) NPC1HIF1AKMT2AMAPTGAA
SCHEMBL2770639 0.70 MAPT (0.50) NPC1KMT2AMAPTGAAALDH1A1
SCHEMBL2144487 0.70 ALDH1A1 (0.46) NPC1KMT2AMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 NPC1 2230/4885NCOA1 1292/4885NCOA3 756/4885

“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.