SCHEMBL908997

SCHEMBL908997

NN1CCCC(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTBP1 P26599 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
SRD5A1 P18405 1/20 0.36
F2 P00734 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL909327 0.83 TRPA1 (0.44) LMNASMN1; SMN2PTBP1ALDH1A1KDM4E
SCHEMBL6526805 0.83 MAPK1 (0.41) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL909094 0.83 CYP2C9 (0.46) LMNAALDH1A1TSHRMAPTMEN1
SCHEMBL908449 0.83 CHRM2 (0.47) LMNAL3MBTL1TSHRMEN1KMT2A
SCHEMBL908834 0.82 PGR (0.38) LMNASMN1; SMN2PTBP1ALDH1A1MAPT
SCHEMBL908173 0.81 ALDH1A1 (0.44) LMNAALDH1A1TSHRNPSR1
SCHEMBL909246 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL908994 0.80 L3MBTL1 (0.39) L3MBTL1
SCHEMBL909255 0.79 SLC6A2 (0.40)
SCHEMBL909596 0.76 SLC6A2 (0.40) SMN1; SMN2TSHR

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 9 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
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 LMNA 755/4885SMN1; SMN2 1063/4885PTBP1 3497/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 LMNA 1027/4885SMN1; SMN2 288/4885PTBP1 3154/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 LMNA 899/4885SMN1; SMN2 420/4885PTBP1 4452/4885

“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.