SCHEMBL3756277

SCHEMBL3756277

COc1nc(/C=C/C(=O)NN)ccc1-n1cnc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.42
PSEN2 P49810 18/20 0.42
APH1B Q8WW43 18/20 0.42
NCSTN Q92542 18/20 0.42
APH1A Q96BI3 18/20 0.42
PSENEN Q9NZ42 18/20 0.42
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KCNH2 Q12809 2/20 0.38
APP P05067 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3756284 1.00 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL909502 0.99 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL909504 0.99 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909164 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909162 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908735 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908740 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7909191 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3131111 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3135696 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010098496-A1 PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO claimed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 US disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
WO-2010098496-A1 PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098496-A1 PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
WO-2010025197-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 WO disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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 (4 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-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS CYP4A11, CYP51A1, NISCH PSEN1 2174/4885PSEN2 2403/4885APH1B 787/4885
US-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 9/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 PSEN1 2/4885PSEN2 5/4885APH1B 36/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 7/4885

“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.