SCHEMBL894206

SCHEMBL894206

O=C(Nc1nnc(C2CC2)s1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 4/20 0.57
GLS O94925 5/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 2/20 0.55
MIF P14174 1/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
PKM P14618 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
SCHEMBL27851689 0.87 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4468305 0.84 ALDH1A1 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13499907 0.79 KMT2A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL32672066 0.78 CCNE1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9156058 0.77 ALDH1A1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6215399 0.77 NPC1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5332558 0.77 ALDH1A1 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16887444 0.76 GLS (0.90) SMN1; SMN2ALDH1A1MAPTKMT2AGLS
SCHEMBL1899086 0.76 ADORA1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1011592 0.75 POLB (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440204-B1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-12-18 EP disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 EP disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-8044052-B2 Inhibitors of fatty acid amide hydrolase; N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide; elevate brain anandamide levels; pain, urinary incontinence, cognitive disorders, anxiety, depression, sleeping, eating, movement disorders, glaucoma, psoriasis PFIZER INC. (US) 2011-10-25 US disclosed
EP-2076508-B1 BIARYL ETHER UREA COMPOUNDS PFIZER PROD INC (US) 2011-01-05 EP disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 WO disclosed
US-20080261941-A1 Biaryl Ether Urea Compounds Jazz Pharmaceuticals Therapeutics, Inc. 2008-10-23 US disclosed
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 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 (3 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-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 RAB9A 608/4885NPC1 795/4885SMN1; SMN2 1964/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT RAB9A 1841/4885NPC1 1778/4885SMN1; SMN2 2328/4885
US-20080261941-A1 Biaryl Ether Urea Compounds FAAH, FAAH2, LIPC RAB9A 1366/4885NPC1 314/4885SMN1; SMN2 3922/4885

“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.