SCHEMBL2767958

SCHEMBL2767958

O=C(O)c1cccc(NC(=S)Nc2noc3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.53
NPC1 O15118 5/20 0.52
ALDH1A1 P00352 5/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.52
MIF P14174 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 2/20 0.49
ALOX12 P18054 2/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL2768900 0.87 HIF1A (0.67) RAB9ASMN1; SMN2TP53HIF1ANPC1
SCHEMBL2768556 0.86 RAB9A (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1CA1
SCHEMBL2769319 0.85 ALDH1A1 (0.55) RAB9ASMN1; SMN2TP53HIF1ANPC1
SCHEMBL2770711 0.80 KDM4E (0.47) RAB9ASMN1; SMN2HIF1ANPC1ALDH1A1
SCHEMBL11517562 0.79 CA1 (0.71) RAB9ASMN1; SMN2NPC1ALDH1A1CA1
SCHEMBL2770276 0.79 MAPT (0.57) SMN1; SMN2TP53ALDH1A1KDM4ETDP1
SCHEMBL2768846 0.78 HIF1A (0.64) RAB9ASMN1; SMN2TP53HIF1ANPC1
SCHEMBL2768764 0.75 KMT2A (0.51) SMN1; SMN2ALDH1A1KDM4EKMT2AHPGD
SCHEMBL8282242 0.75 TP53 (0.78) RAB9ASMN1; SMN2TP53HIF1ANPC1
SCHEMBL2771187 0.75 SMN1; SMN2 (0.61) SMN1; SMN2TP53ALDH1A1KDM4EMEN1

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 9 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
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP claimed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
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
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP disclosed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO 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 3127/4885SMN1; SMN2 1349/4885TP53 4784/4885

“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.