SCHEMBL2769848

SCHEMBL2769848

COc1cc(NC(=O)N(S)c2noc3ccccc23)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HIF1A Q16665 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2768548 0.89 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL2769321 0.81 HIF1A (0.56) SMN1; SMN2HIF1ALMNANPSR1ALDH1A1
SCHEMBL2769340 0.78 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2768329 0.77 HIF1A (0.63) MAPTSMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL2771191 0.77 SMN1; SMN2 (0.50) MAPTSMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL2769009 0.76 NPC1 (0.47) MAPTSMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL2768628 0.76 HIF1A (0.47) MAPTSMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL2768687 0.76 HIF1A (0.41) MAPTSMN1; SMN2HIF1ALMNATP53
SCHEMBL2770643 0.76 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL2768458 0.76 HCRTR1 (0.50) MAPTSMN1; SMN2MEN1KMT2AHIF1A

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 2492/4885SMN1; SMN2 1349/4885MEN1 3801/4885

“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.