SCHEMBL3462916

SCHEMBL3462916

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
NPC1 O15118 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 3/20 0.39
POLB P06746 2/20 0.39
NPY5R Q15761 1/20 0.37
RAB9A P51151 5/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3395215 0.89 NOTUM (0.48) MAPTHPGDSMN1; SMN2NPY1RNPY2R
SCHEMBL2305500 0.83 HPGD (0.41) MAPTHPGDSMN1; SMN2NPY1RNPY2R
SCHEMBL28453022 0.82 SMN1; SMN2 (0.40) MAPTHPGDSMN1; SMN2NPY1RNPY2R
Bicarbonate SCHEMBL28453614 0.80 NPC1 (0.40) MAPTHPGDSMN1; SMN2NPY1RNPY2R
SCHEMBL21054896 0.78 MAPT (0.42) MAPTHPGDSMN1; SMN2NPY1RNPY2R
SCHEMBL3399084 0.78 NPC1 (0.39) MAPTHPGDSMN1; SMN2NPY1RNPY2R
SCHEMBL2944987 0.77 SMN1; SMN2 (0.40) MAPTHPGDSMN1; SMN2NPY1RNPY2R
SCHEMBL21054894 0.76 MAPT (0.42) MAPTHPGDSMN1; SMN2NPY1RNPY2R
SCHEMBL2304171 0.75 NOTUM (0.41) MAPTHPGDSMN1; SMN2NPY1RNPY2R
SCHEMBL2304162 0.74 MAP4K4 (0.41) MAPTHPGDSMN1; SMN2NPY1RNPY2R

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 6 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-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 MAPT 4078/4885HPGD 1733/4885SMN1; SMN2 4230/4885
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME MTOR, ERG28, MTMR1 MAPT 1266/4885HPGD 774/4885SMN1; SMN2 4214/4885

“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.