SCHEMBL1733488

SCHEMBL1733488

Nc1ncccc1-c1noc(Cc2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
NPC1 O15118 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
ALDH1A1 P00352 2/20 0.51
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMPD1 P17405 1/20 0.48
FFAR1 O14842 2/20 0.46
MAPK1 P28482 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
GAA P10253 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42

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
SCHEMBL1811812 0.89 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR1
SCHEMBL12370007 0.89 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR1
SCHEMBL26686744 0.86 S1PR1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR1
SCHEMBL1732415 0.83 S1PR1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR1
SCHEMBL7603753 0.79 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL26686930 0.78 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1S1PR1
SCHEMBL509968 0.78 RAB9A (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL509091 0.78 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL30047547 0.75 LTA4H (0.58) RAB9ANPC1SMN1; SMN2L3MBTL1LTA4H
SCHEMBL511133 0.74 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265607-A1 AMINOPYRIDINE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2023-10-25 EP disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP 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-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 RAB9A 164/4885NPC1 2110/4885SMN1; SMN2 4604/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 RAB9A 1677/4885NPC1 210/4885SMN1; SMN2 4143/4885

“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.