SCHEMBL909202

SCHEMBL909202

NN1C=CCN(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CTSG P08311 2/20 0.37
CMA1 P23946 1/20 0.37
SIGMAR1 Q99720 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL909212 0.82 CTSG (0.40) CTSGCMA1DRD2DRD3
SCHEMBL1533119 0.82 RAB9A (0.41) RAB9AKMT2AMEN1GAAMAPT
SCHEMBL11114878 0.71 MEN1 (0.42) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL8520034 0.69 RAB9A (0.40) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1111106 0.68 MEN1 (0.50) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL5909835 0.67 CTSG (0.49) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL6107438 0.67 NPC1 (0.54) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL6406394 0.67 NPC1 (0.72) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL22357884 0.67 KMT2A (0.48) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL11745206 0.67 NPC1 (0.72) NPC1RAB9AKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP 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
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP 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 (3 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 NPC1 22/4885RAB9A 2861/4885KMT2A 1666/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 NPC1 163/4885RAB9A 2244/4885KMT2A 2241/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 NPC1 75/4885RAB9A 2061/4885KMT2A 2179/4885

“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.