SCHEMBL2768263

SCHEMBL2768263

O=C(Nc1cccc2ccccc12)N(S)c1noc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 5/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 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
SCHEMBL2770371 0.88 MAPT (0.42) EPHX2KDM4EGAAMAPTLMNA
SCHEMBL2772191 0.85 HIF1A (0.60) MAPTLMNARAB9ANPC1CYP1A2
SCHEMBL2769370 0.82 MAPT (0.41) MAPTHIF1AKMT2A
SCHEMBL2770757 0.82 EPHX2 (0.52) EPHX2KDM4EMAPTLMNARAB9A
SCHEMBL2769321 0.82 HIF1A (0.56) KDM4EGAALMNARAB9ANPC1
SCHEMBL2770372 0.81 MEN1 (0.45) GAAMAPTRAB9ANPC1CYP3A4
SCHEMBL2768687 0.79 HIF1A (0.41) KDM4EMAPTLMNARAB9ANPC1
SCHEMBL2767495 0.78 HIF1A (0.38) KDM4EMAPTLMNARAB9ANPC1
SCHEMBL2771191 0.78 SMN1; SMN2 (0.50) KDM4EMAPTLMNARAB9ANPC1
SCHEMBL2768329 0.76 HIF1A (0.63) KDM4EGAAMAPTLMNARAB9A

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 EPHX2 3694/4885KDM4E 276/4885GAA 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.