SCHEMBL1096044

SCHEMBL1096044

O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ATM Q13315 1/20 0.56
SLC6A9 P48067 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
GBA1 P04062 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL1922252 0.88 MEN1 (0.46) SCDKMT2AMEN1ATMSLC6A9
SCHEMBL3826357 0.82 SCD (0.61) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL1094784 0.82 SCD (0.61) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL3677226 0.81 SCD (0.71) SCDKMT2AMEN1LMNAALDH1A1
SCHEMBL14143707 0.81 SCD (0.62) SCDLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL14143697 0.81 SCD (0.64) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL3825613 0.81 SCD (0.59) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL14143564 0.81 KDM4E (0.64) SCDKMT2AMEN1LMNAALDH1A1
SCHEMBL3411182 0.79 ALDH1A1 (0.67) SCDKMT2AMEN1LMNAALDH1A1
SCHEMBL27636544 0.79 MAPT (0.62) KMT2AMEN1ATMMAPTLMNA

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
EP-1651606-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-10-24 EP disclosed
US-8153636-B2 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-04-10 US disclosed
EP-2316825-A1 Pyridyl derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
US-20100048584-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-02-25 US disclosed
US-7605161-B2 1-Pentyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]-pyridin-3-yl}urea; inhibitors of stearoyl-CoA desaturase; cardiovascular disease, diabetes, obesity, metabolic syndrome XENON PHARMACEUTICALS INC. (CA) 2009-10-20 US disclosed
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO disclosed
US-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents DISCOVERY PARTNERS INTERNATIONAL, INC. 2006-09-07 US disclosed
EP-1651606-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP disclosed
WO-2005011656-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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-20100048584-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS PRMT9, SNRPD3, SCD SCD 3/4885KMT2A 3242/4885MEN1 3732/4885
US-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents PYCR1, PNPO, UQCRC1 SCD 6/4885KMT2A 4113/4885MEN1 4194/4885

“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.