SCHEMBL2768099

SCHEMBL2768099

O=C(NCCc1ccccc1)N(S)c1noc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
EPHX1 P07099 1/20 0.43
ASAH1 Q13510 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
FAAH O00519 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2768895 0.91 MAPT (0.47) MAPTRAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL2770003 0.89 NPC1 (0.45) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2770586 0.85 MAOB (0.41) MAPTRAB9ANPC1EPHX1SMN1; SMN2
SCHEMBL2768303 0.82 RAB9A (0.41) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2769006 0.82 HPGD (0.43) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2768264 0.80 SMN1; SMN2 (0.42) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2768827 0.80 SMN1; SMN2 (0.45) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2769784 0.78 NPC1 (0.38) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2768687 0.78 HIF1A (0.41) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2768067 0.74 SSTR4 (0.40) MAPTRAB9ANPC1SMN1; SMN2

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 MAPT 2492/4885RAB9A 3127/4885NPC1 2230/4885

“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.