SCHEMBL2879587

SCHEMBL2879587

O=c1nc(OCc2ccccc2)cc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
NSD2 O96028 1/20 0.51
ABL1 P00519 1/20 0.51
PPARG P37231 1/20 0.51
RIN1 Q13671 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
POLB P06746 1/20 0.49
ELANE P08246 1/20 0.48
PKM P14618 1/20 0.45
GRM5 P41594 1/20 0.45
NUDT1 P36639 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
BCHE P06276 1/20 0.41
HTT P42858 1/20 0.41
IP6K1 Q92551 1/20 0.40
EGFR P00533 1/20 0.40
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
AURKB Q96GD4 1/20 0.40
NPC1 O15118 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
SCHEMBL15111394 0.84 SMPD1 (0.41) NPC1RAB9A
SCHEMBL2893270 0.84 MEN1 (0.40) L3MBTL1PKMHTTNPC1RAB9A
SCHEMBL29642309 0.79 NSD2 (0.43) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL4978551 0.79 NSD2 (0.43) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL17979568 0.79 KCNA3 (0.42) PKMNPC1RAB9A
SCHEMBL2524154 0.76 L3MBTL1 (0.52) L3MBTL1PKMGRM5NUDT1TRPV3
SCHEMBL2353891 0.75 BTK (0.43) ELANENUDT1HTTTTBK1TTBK2
SCHEMBL30488441 0.74 GRM5 (0.43) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL5364336 0.74 GRM5 (0.43) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL1513623 0.74 ADORA2A (0.46) L3MBTL1NUDT1HTTTTBK1TTBK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
EP-1423399-A4 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS UNIV CALIFORNIA (US) 2008-05-07 EP disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP disclosed
WO-2007121453-A2 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-25 WO disclosed
US-6846915-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-25 US disclosed
US-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-13 US disclosed
EP-1423399-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-06-02 EP disclosed
US-20030095922-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-05-22 US disclosed
WO-2003016923-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-02-27 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-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents HAMP, GDI1, MPI L3MBTL1 4779/4885NSD2 4499/4885ABL1 2575/4885
US-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R L3MBTL1 979/4885NSD2 2417/4885ABL1 2275/4885

“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.