SCHEMBL2770478

SCHEMBL2770478

O=C(NCC1CCCCC1)N(S)c1noc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
EPHX1 P07099 1/20 0.41
NPC1 O15118 1/20 0.40
CNR1 P21554 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
P2RX7 Q99572 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 2/20 0.37
METTL3 Q86U44 1/20 0.37

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
SCHEMBL2769249 0.82 HIF1A (0.60) HIF1AEPHX1NPC1MEN1LMNA
SCHEMBL2768962 0.81 HIF1A (0.58) HIF1AEPHX1NPC1MEN1LMNA
SCHEMBL2768303 0.79 RAB9A (0.41) HIF1ANPC1LMNATP53SMN1; SMN2
SCHEMBL2770378 0.78 HIF1A (0.51) HIF1ANPC1MEN1LMNATP53
SCHEMBL2770003 0.78 NPC1 (0.45) HIF1ANPC1LMNATP53KMT2A
SCHEMBL2770586 0.77 MAOB (0.41) HIF1AEPHX1NPC1LMNATP53
SCHEMBL2769784 0.75 NPC1 (0.38) HIF1ANPC1LMNATP53SMN1; SMN2
SCHEMBL2768099 0.75 MAPT (0.47) EPHX1NPC1SMN1; SMN2RAB9A
SCHEMBL2768687 0.75 HIF1A (0.41) HIF1ANPC1LMNATP53SMN1; SMN2
SCHEMBL2769006 0.74 HPGD (0.43) HIF1ANPC1LMNATP53SMN1; SMN2

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 HIF1A 1664/4885EPHX1 2114/4885NPC1 2230/4885

“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.