SCHEMBL909447

SCHEMBL909447

NN1CCCC(c2cccc(F)c2F)C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
RIPK1 Q13546 2/20 0.34
TSHR P16473 1/20 0.34
HCRTR2 O43614 3/20 0.34
ROCK2 O75116 1/20 0.34
CALCRL Q16602 1/20 0.33

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
SCHEMBL19858930 0.91 HTR2C (0.39) ALDH1A1GAASMN1; SMN2TP53HTR2C
SCHEMBL909098 0.90 NOS3 (0.33) ALDH1A1GAASMN1; SMN2TP53MEN1
SCHEMBL909584 0.88 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2MEN1LMNA
SCHEMBL908663 0.86 TAAR1 (0.38) ALDH1A1GAASMN1; SMN2TP53HTR2C
SCHEMBL908389 0.86 OPRD1 (0.33) ALDH1A1GAASMN1; SMN2TP53HTR2C
SCHEMBL3705807 0.79 TP53 (0.39) ALDH1A1GAASMN1; SMN2TP53HTR2C
SCHEMBL908807 0.79 AR (0.33) ALDH1A1MEN1LMNACYP1A2CYP3A4
SCHEMBL909617 0.77 DPP4 (0.33)
SCHEMBL909120 0.77 IDO1 (0.46) ALDH1A1SMN1; SMN2TP53MEN1LMNA
SCHEMBL909235 0.77 KDM1A (0.41) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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 ALDH1A1 1741/4885GAA 2325/4885SMN1; SMN2 1063/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 ALDH1A1 943/4885GAA 1935/4885SMN1; SMN2 288/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 ALDH1A1 1583/4885GAA 1552/4885SMN1; SMN2 420/4885

“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.