SCHEMBL3910902

SCHEMBL3910902

O=C(OCc1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPK1 P28482 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.59
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MITF O75030 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL3913431 0.86 MAPT (0.53) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3909256 0.84 MAPT (0.53) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4084441 0.78 MAPT (0.47) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL893952 0.77 ALDH1A1 (0.71) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19212206 0.76 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19212266 0.76 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
Nitrobenzene SCHEMBL27753613 0.76 GRIN2B (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4753923 0.75 MAPT (0.62) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL14046587 0.75 RAB9A (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8307585 0.74 RAB9A (0.70) MAPTMEN1KMT2AALDH1A1MAPK1

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
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 MAPT 754/4885MEN1 3628/4885KMT2A 2689/4885

“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.