SCHEMBL3395215

SCHEMBL3395215

O=C(O)Nc1ncccc1-c1cc(CO)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPC1 O15118 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPY5R Q15761 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 4/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3462916 0.89 MAPT (0.43) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL2304171 0.85 NOTUM (0.41) NOTUMSMN1; SMN2HPGDMAPTNPY1R
SCHEMBL28453022 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL8984364 0.83 HPGD (0.39) NOTUMSMN1; SMN2HPGDMAPTNPY1R
Oxalic Acid SCHEMBL2302209 0.78 NOTUM (0.49) NOTUMSMN1; SMN2HPGDMAPTNPY1R
SCHEMBL2944987 0.78 SMN1; SMN2 (0.40) SMN1; SMN2HPGDMAPTNPY1RNPY2R
SCHEMBL3398933 0.77 NOTUM (0.48) NOTUMSMN1; SMN2HPGDMAPTNPY1R
SCHEMBL2300064 0.75 NOTUM (0.51) NOTUMSMN1; SMN2HPGDMAPTNPY1R
SCHEMBL30518383 0.75 NOTUM (0.51) NOTUMSMN1; SMN2HPGDMAPTNPY1R
SCHEMBL28530013 0.73 KMT2A (0.50) MAPTNPC1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223926-B1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2014-02-12 EP disclosed
US-8513287-B2 Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 US disclosed
US-8410277-B2 Method for manufacturing heterocycle substituted pyridine derivatives Eisai R&D Managment Co., Ltd. (JP) 2013-04-02 US disclosed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
EP-2226320-A1 PROCESS FOR PRODUCTION OF HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-08 EP disclosed
EP-2223926-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-09-01 EP disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 US 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-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 NOTUM 4065/4885SMN1; SMN2 4230/4885HPGD 1733/4885
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME MTOR, ERG28, MTMR1 NOTUM 2119/4885SMN1; SMN2 4214/4885HPGD 774/4885

“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.