SCHEMBL3916664

SCHEMBL3916664

Nc1cccc2oc(N3CCN(C(=O)OCc4ccccc4)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SLC29A1 Q99808 1/20 0.44
GAA P10253 1/20 0.43
GRIN2B Q13224 4/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC2 Q92769 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3907878 0.88 KMT2A (0.48) HDAC1SMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL13912830 0.86 KMT2A (0.46) HDAC1SMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL3907708 0.85 KMT2A (0.46) SMN1; SMN2CYP2C19KMT2AMEN1NPSR1
SCHEMBL3906939 0.84 KMT2A (0.61) SMN1; SMN2CYP2C19KMT2AMEN1NPSR1
SCHEMBL3920245 0.82 HTR6 (0.44) SMN1; SMN2CYP2C19KMT2AMEN1NPSR1
SCHEMBL3981906 0.81 HTR6 (0.65) SMN1; SMN2KMT2AMEN1NPSR1NPC1
SCHEMBL3914275 0.76 KMT2A (0.47) SMN1; SMN2CYP2C19KMT2AMEN1NPSR1
SCHEMBL17019198 0.76 MEN1 (0.57) HDAC1SMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL3970912 0.74 MEN1 (0.76) SMN1; SMN2CYP2C19KMT2AMEN1NPSR1
SCHEMBL4814264 0.74 MEN1 (0.76) SMN1; SMN2CYP2C19KMT2AMEN1NPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US disclosed
US-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US disclosed
US-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US disclosed
EP-2024348-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS Wyeth (US) 2009-02-18 EP disclosed
WO-2007142904-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS WYETH (US) 2007-12-13 WO disclosed
WO-2007142904-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS WYETH (US) 2007-12-13 WO disclosed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 US disclosed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 US disclosed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 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-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HDAC1 2347/4885SMN1; SMN2 1970/4885CYP2C19 350/4885

“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.