SCHEMBL969971

SCHEMBL969971

O=[N+]([O-])c1c(Cl)cc(N2CCOCC2)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
CYP2D6 P10635 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PIK3CB P42338 2/20 0.41
PIK3CA P42336 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL971308 0.83 HTT (0.52) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL971805 0.83 HTT (0.46) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL31178192 0.77 MAPT (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL27858227 0.75 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL971969 0.74 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL4658288 0.74 ACHE (0.56) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL932547 0.74 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL5008170 0.72 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL9126475 0.71 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL28650052 0.70 CUL4A (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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
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 KMT2A 617/4885MEN1 1417/4885ALDH1A1 2178/4885
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES KCNQ2, KCNQ1, KCNQ5 KMT2A 637/4885MEN1 1972/4885ALDH1A1 2209/4885

“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.