SCHEMBL2771191

SCHEMBL2771191

O=C(Nc1ccc(F)cc1)N(S)c1noc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 7/20 0.45
MAOB P27338 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MET P08581 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL2769321 0.90 HIF1A (0.56) SMN1; SMN2TP53HIF1ARAB9ANPC1
SCHEMBL2770662 0.87 EPHX2 (0.52) HIF1AMAOBRAB9ANPC1KIT
SCHEMBL2768329 0.85 HIF1A (0.63) SMN1; SMN2HIF1AMAOBRAB9ANPC1
SCHEMBL2768458 0.83 HCRTR1 (0.50) SMN1; SMN2TP53HIF1ARAB9ANPC1
SCHEMBL2768335 0.83 HIF1A (0.48) HIF1AMAOBRAB9ANPC1LMNA
SCHEMBL2768960 0.83 P2RX1 (0.41) SMN1; SMN2HIF1ARAB9ANPC1LMNA
SCHEMBL2768827 0.83 SMN1; SMN2 (0.45) SMN1; SMN2TP53MAOBRAB9ANPC1
SCHEMBL2768628 0.82 HIF1A (0.47) SMN1; SMN2TP53HIF1ARAB9ANPC1
SCHEMBL2770290 0.81 NPC1 (0.45) SMN1; SMN2TP53HIF1ARAB9ANPC1
SCHEMBL2770007 0.80 TP53 (0.43) SMN1; SMN2TP53NPC1KDM4ELMNA

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 SMN1; SMN2 1349/4885TP53 4784/4885HIF1A 1664/4885

“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.