SCHEMBL1767523

SCHEMBL1767523

O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccn1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.67
MMP9 P14780 5/20 0.67
MMP8 P22894 5/20 0.67
MMP13 P45452 5/20 0.67
COMT P21964 2/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 3/20 0.62
MAPT P10636 3/20 0.62
POLB P06746 2/20 0.62
RECQL P46063 2/20 0.62
THRB P10828 1/20 0.62
ATM Q13315 1/20 0.62
HPSE Q9Y251 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
PKM P14618 1/20 0.55

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
SCHEMBL2250333 0.81 COMT (1.00) MMP2MMP9MMP8MMP13COMT
SCHEMBL10561560 0.80 FAAH (0.52) MMP2MMP9MMP8MMP13COMT
SCHEMBL2242293 0.79 MMP2 (1.00) MMP2MMP9MMP8MMP13COMT
SCHEMBL6532484 0.79 NPC1 (0.54) MMP2MMP9MMP8MMP13COMT
SCHEMBL15557960 0.78 MAPT (0.46) MMP2MMP9MMP8MMP13COMT
SCHEMBL28655226 0.78 NPC1 (0.65) MEN1KMT2ANPC1RAB9AATM
SCHEMBL24512908 0.77 FOXO1 (0.80) MMP2MMP9MMP8MMP13COMT
SCHEMBL27833532 0.77 NPC1 (0.52) MEN1KMT2ANPC1RAB9AATM
SCHEMBL17705602 0.77 MMP2 (0.80) MMP2MMP9MMP8MMP13COMT
SCHEMBL2582594 0.77 MAPT (1.00) MMP2MMP9MMP8MMP13COMT

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
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 CN disclosed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 CN disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MMP2 1173/4885MMP9 807/4885MMP8 1209/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MMP2 1173/4885MMP9 807/4885MMP8 1209/4885

“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.