SCHEMBL1730801

SCHEMBL1730801

O=CCc1nc2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
LOXL2 Q9Y4K0 1/20 0.56
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PSMB8 P28062 1/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL29953526 1.00 MAPT (0.63) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL27984493 0.82 MAPT (0.70) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL7315076 0.81 NPC1 (0.63) MAPTNPC1RAB9ATP53SMN1; SMN2
Benzene SCHEMBL6030702 0.80 MAPT (0.61) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL28882874 0.80 NPC1 (0.61) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL2125044 0.79 MAPT (0.70) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9848762 0.79 NPC1 (0.70) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL1420033 0.78 TP53 (0.81) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL155002 0.78 MAPT (1.00) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL28518705 0.77 MAPT (0.58) MAPTNPC1RAB9ATP53SMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
EP-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP disclosed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP disclosed
US-7476688-B2 Cyclic amidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-13 US disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
EP-1614680-A2 Process for preparing 2-iminopyrrolidine derivatives Eisai Co., Ltd. (JP) 2006-01-11 EP disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004197-A1 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
US-20040254376-A1 Cyclic amidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-16 US disclosed
US-20040242627-A1 2-Iminoimidazole derivatives (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-02 US disclosed
EP-1394152-A1 2-IMINOIMIDAZOLE DERIVATIVES (1) Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1391456-A1 2-IMINOIMIDAZOLE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed
EP-1386912-A1 CYCLIC AMIDINE DERIVATIVE Eisai Co., Ltd. (JP) 2004-02-04 EP disclosed
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 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 (6 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-20050004197-A1 2-iminoimidazole derivatives (2) H1-2, H1-3, H1-4 MAPT 3908/4885NPC1 4029/4885RAB9A 2353/4885
US-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MAPT 3483/4885NPC1 4243/4885RAB9A 429/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MAPT 3440/4885NPC1 4254/4885RAB9A 418/4885
US-20040242627-A1 2-Iminoimidazole derivatives (1) H1-2, H1-0, H1-3 MAPT 4077/4885NPC1 3254/4885RAB9A 1696/4885
US-20040254376-A1 Cyclic amidine derivative ARGLU1, ARG1, PRMT1 MAPT 4592/4885NPC1 2685/4885RAB9A 445/4885
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES H1-10, H1-3, H1-4 MAPT 4417/4885NPC1 3249/4885RAB9A 356/4885

“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.