SCHEMBL3907708

SCHEMBL3907708

O=C(OCc1ccccc1)N1CCN(c2nc3c([N+](=O)[O-])cccc3o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP2C19 P33261 1/20 0.43
LIN28A Q9H9Z2 1/20 0.42
SLC29A1 Q99808 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GRIN2B Q13224 4/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3907878 0.85 KMT2A (0.48) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3916664 0.85 HDAC1 (0.48) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL13912830 0.83 KMT2A (0.46) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3906939 0.81 KMT2A (0.61) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3821618 0.81 MAPT (0.56) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3920245 0.79 HTR6 (0.44) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3981906 0.79 HTR6 (0.65) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL5293151 0.77 MEN1 (0.56) KMT2AMEN1NPSR1SMN1; SMN2CYP2C19
SCHEMBL8922623 0.76 GRM5 (0.60) KMT2AMEN1NPSR1CYP2C19MAPT
SCHEMBL3914275 0.74 KMT2A (0.47) KMT2AMEN1NPSR1SMN1; SMN2NPC1

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 8 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
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 2689/4885MEN1 3628/4885NPSR1 38/4885

“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.