SCHEMBL971308

SCHEMBL971308

COc1cc(N2CCOCC2)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
S1PR1 P21453 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
SCHEMBL969971 0.83 KMT2A (0.49) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL971805 0.80 HTT (0.46) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL969606 0.78 CYP1A2 (0.52) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL2242731 0.73 KDM4E (0.45) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL29998210 0.73 KDM4E (0.45) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL8809905 0.72 LMNA (0.45) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL971969 0.72 ALDH1A1 (0.59) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL31178192 0.72 MAPT (0.49) HTTMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL15328556 0.72 HTT (0.57) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL20765062 0.72 HTT (0.56) HTTKMT2AMEN1MAPTALDH1A1

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
CN-102276523-B Substituted pyridine derivatives LUNDBECK CO LTD H 2014-12-10 CN disclosed
EP-2298766-B1 Pharmaceutical formulations comrpising a substituted pyridine derivative LUNDBECK & CO AS H (DK) 2013-09-18 EP disclosed
US-8299071-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
EP-2298766-A1 Substituted pyridine derivatives H. Lundbeck A/S (DK) 2011-03-23 EP disclosed
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-01-06 US disclosed
US-7812020-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US disclosed
US-20080318953-A1 Substituted Pyridine Derivatives H. LUNDBECK A/S (DK) 2008-12-25 US disclosed
EP-1861394-A1 SUBSTITUTED PYRIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-12-05 EP disclosed
WO-2006092143-A1 SUBSTITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-09-08 WO 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 (2 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-20080318953-A1 Substituted Pyridine Derivatives KCNQ2, KCNQ1, KCNQ5 HTT 1822/4885KMT2A 617/4885MEN1 1417/4885
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES KCNQ2, KCNQ1, KCNQ5 HTT 1791/4885KMT2A 637/4885MEN1 1972/4885

“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.