SCHEMBL2768772

SCHEMBL2768772

O=C(NCCCN1CCOCC1)N(S)c1noc2c(F)cccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
BCL3 P20749 1/20 0.46
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2767451 0.94 ALDH1A1 (0.48) ALDH1A1L3MBTL1BCL3TSHRPOLB
SCHEMBL2770296 0.81 SSTR4 (0.37) ALDH1A1HTTHIF1ASMN1; SMN2LMNA
SCHEMBL2769902 0.80 EPHX2 (0.37) ALDH1A1HTT
SCHEMBL2769703 0.80 EPHX2 (0.37) ALDH1A1HTT
SCHEMBL2768773 0.80 SSTR4 (0.39) ALDH1A1POLBSMN1; SMN2KDM4ELMNA
SCHEMBL2768767 0.76 CYP3A4 (0.58) ALDH1A1L3MBTL1POLBHTTSMN1; SMN2
SCHEMBL2770288 0.73 SSTR4 (0.39) ALDH1A1L3MBTL1SMN1; SMN2RAB9AGLA
SCHEMBL2785664 0.71 ALDH1A1 (0.46) ALDH1A1L3MBTL1BCL3TSHRSMN1; SMN2
SCHEMBL2767445 0.69 KDM4E (0.56) ALDH1A1HTTSMN1; SMN2KDM4ELMNA
SCHEMBL2770035 0.69 KDM4E (0.51) ALDH1A1BCL3TSHRPOLBSMN1; 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 ALDH1A1 1965/4885L3MBTL1 1736/4885BCL3 2069/4885

“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.