SCHEMBL4083742

SCHEMBL4083742

O=C(OCc1ccccc1)N1CCN(c2nc3cc(Sc4cccc5ccccc45)ccc3o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGES O14684 3/20 0.40
PTGS2 P35354 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL3920245 0.84 HTR6 (0.44) KMT2AGAATNKSPARP1TNKS2
SCHEMBL13902478 0.83 KMT2A (0.42) KMT2AGAANPC1RAB9AMEN1
SCHEMBL3981282 0.81 HTR6 (0.64) KMT2AGAAHTR6
SCHEMBL4084441 0.80 MAPT (0.47) KMT2AGAATNKSPARP1TNKS2
SCHEMBL3914275 0.80 KMT2A (0.47) KMT2AGAANPC1RAB9AMEN1
SCHEMBL3906939 0.79 KMT2A (0.61) KMT2AGAATNKSPARP1TNKS2
SCHEMBL3981906 0.73 HTR6 (0.65) KMT2ANPC1RAB9AMEN1NPSR1
SCHEMBL3916664 0.71 HDAC1 (0.48) KMT2AGAANPC1RAB9AMEN1
SCHEMBL3907878 0.71 KMT2A (0.48) KMT2AGAANPC1RAB9AMEN1
SCHEMBL13912830 0.70 KMT2A (0.46) KMT2AGAANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490022-A Benzoxazole and benzothiazole derivatives as 5-hydroxytrytamine-6 ligands WYETH CORP (US) 2009-07-22 CN 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
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 KMT2A 2689/4885GAA 2455/4885TNKS 2894/4885

“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.