SCHEMBL2770003

SCHEMBL2770003

O=C(NCc1ccccc1)N(S)c1noc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL2767619 0.90 MAPT (0.47) NPC1RAB9AGAACYP2C19LMNA
SCHEMBL2768827 0.90 SMN1; SMN2 (0.45) NPC1RAB9ACYP1A2CYP2C19LMNA
SCHEMBL2768099 0.89 MAPT (0.47) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2768303 0.85 RAB9A (0.41) NPC1RAB9AGAALMNAHIF1A
SCHEMBL2770586 0.83 MAOB (0.41) NPC1RAB9AGAALMNAHIF1A
SCHEMBL2769321 0.81 HIF1A (0.56) NPC1RAB9AGAALMNAHIF1A
SCHEMBL2769784 0.81 NPC1 (0.38) NPC1RAB9AGAALMNAHIF1A
SCHEMBL2768687 0.81 HIF1A (0.41) NPC1RAB9ALMNAHIF1ASMN1; SMN2
SCHEMBL2769006 0.80 HPGD (0.43) NPC1RAB9ALMNAHIF1ASMN1; SMN2
SCHEMBL2768895 0.80 MAPT (0.47) RAB9AGAACYP1A2CYP2D6CYP2C19

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 2230/4885RAB9A 3127/4885GAA 3898/4885

“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.