SCHEMBL510646

SCHEMBL510646

Nc1ncccc1-c1cc(Cc2ccc(Sc3ccccc3)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JAK2 O60674 2/20 0.45
ROCK2 O75116 2/20 0.45
PRKACA P17612 2/20 0.45
CDK2 P24941 2/20 0.45
KDR P35968 2/20 0.45
GSK3B P49841 2/20 0.45
AURKB Q96GD4 2/20 0.45
MAP4K4 O95819 2/20 0.45
CDC7 O00311 1/20 0.45
PAK4 O96013 1/20 0.45
PIM1 P11309 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL21054547 0.89 L3MBTL1 (0.55) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29043732 0.89 L3MBTL1 (0.57) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1106893 0.89 L3MBTL1 (0.44) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30025271 0.88 CYP11B1 (0.44) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL510160 0.88 CYP11B1 (0.44) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL510267 0.88 TDP1 (0.46) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21054897 0.87 L3MBTL1 (0.52) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21054608 0.84 L3MBTL1 (0.44) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL510839 0.84 L3MBTL1 (0.49) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1711762 0.84 TDP1 (0.46) L3MBTL1TDP1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-8158657-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-8153662-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-10 US disclosed
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO (JP) 2012-02-02 US disclosed
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-07-01 US disclosed
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-06-24 US disclosed
US-7691882-B2 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-06 US disclosed
EP-2141171-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOAMINO AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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 (5 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-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 L3MBTL1 1614/4885TDP1 3169/4885RAB9A 2523/4885
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 L3MBTL1 2881/4885TDP1 4728/4885RAB9A 2885/4885
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF CYP4X1, ERG28, CYP51A1 L3MBTL1 3933/4885TDP1 3434/4885RAB9A 1703/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 L3MBTL1 926/4885TDP1 4848/4885RAB9A 3912/4885
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 L3MBTL1 2881/4885TDP1 4728/4885RAB9A 2885/4885

“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.