SCHEMBL2769331

SCHEMBL2769331

CC(C)CNC(=O)N(S)c1noc2cccc(N(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.36
NPC1 O15118 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 4/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HDAC4 P56524 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2768569 0.81 HPGDS (0.38) RAB9ANPC1SMN1; SMN2HPGDHTT
SCHEMBL2770801 0.78 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL2768388 0.77 KIT (0.44) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL2768573 0.75 NOX1 (0.40) RAB9ANPC1ALDH1A1LMNAMAOB
SCHEMBL2768720 0.75 KIT (0.48) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL2768565 0.75 MAPT (0.43) RAB9ANPC1SMN1; SMN2KMT2AHSD17B10
SCHEMBL2769354 0.74 MAPT (0.48) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL2770452 0.74 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL2769970 0.74 HIF1A (0.49) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL2769328 0.73 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2HPGDHTT

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 RAB9A 3127/4885NPC1 2230/4885SMN1; SMN2 1349/4885

“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.