SCHEMBL908402

SCHEMBL908402

NN1CCCC(c2ccccc2Br)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
BRD4 O60885 1/20 0.38
KDM1A O60341 2/20 0.38
NPC1 O15118 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
RCOR1 Q9UKL0 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL909156 0.81 DDB1 (0.44) ALDH1A1SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL909584 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP3A4CYP2C9LMNA
SCHEMBL909045 0.81 ROCK2 (0.43) ALDH1A1
SCHEMBL12462449 0.81 RBP4 (0.47) HTR2CHTR2BHTR2AGAA
SCHEMBL187797 0.81 RBP4 (0.47) HTR2CHTR2BHTR2AGAA
SCHEMBL909334 0.80 KMT2A (0.39) ALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL909120 0.79 IDO1 (0.46) ALDH1A1SMN1; SMN2CYP3A4LMNAMAPK1
SCHEMBL908449 0.77 CHRM2 (0.47) LMNAL3MBTL1
SCHEMBL909447 0.76 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP3A4CYP2C9LMNA
SCHEMBL909277 0.75 HCRTR2 (0.42) HTR2CHTR2BDRD1DRD5HTR2A

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 17 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-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 EP 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
EP-1992618-B1 POLYCYCLIC CINNAMIDE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2012-01-18 EP disclosed
US-7973033-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2011-05-12 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-7897632-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-01 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2010-07-01 US disclosed
US-7713993-B2 Multi-cycle cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-11 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
EP-1992618-A1 POLYCYCLIC CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-11-19 EP disclosed
US-20070219181-A1 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-09-20 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 ALDH1A1 1741/4885SMN1; SMN2 1063/4885CYP3A4 1991/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 ALDH1A1 943/4885SMN1; SMN2 288/4885CYP3A4 767/4885
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 ALDH1A1 1045/4885SMN1; SMN2 700/4885CYP3A4 2719/4885
US-20070219181-A1 Multi-cyclic cinnamide derivatives BACE1, APP, PSEN1 ALDH1A1 1045/4885SMN1; SMN2 700/4885CYP3A4 2719/4885
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 ALDH1A1 1045/4885SMN1; SMN2 700/4885CYP3A4 2719/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 ALDH1A1 1583/4885SMN1; SMN2 420/4885CYP3A4 2999/4885

“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.