SCHEMBL194876

SCHEMBL194876

NNC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 2/20 0.62
POLB P06746 5/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
GRIK1 P39086 1/20 0.54
NPC1 O15118 1/20 0.54
THRB P10828 1/20 0.54
RAB9A P51151 1/20 0.54
NOX1 Q9Y5S8 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
GAA P10253 1/20 0.53
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51

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
Hydrochloric Acid SCHEMBL9004750 0.98 MEN1 (0.60) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL167598 0.83 GRIN2D (0.60) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL29958946 0.83 GRIN2D (0.60) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL9285732 0.83 POLB (0.56) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL236492 0.83 ALDH1A1 (0.46) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL22103682 0.82 ALDH1A1 (0.66) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL6567619 0.81 KMT2A (0.65) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL7759976 0.81 MEN1 (0.68) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL13430985 0.80 ALDH1A1 (0.54) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL2092532 0.79 POLB (0.58) MEN1KMT2AKDM4EPOLBMAPK1

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-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
EP-0566445-B1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566445-A1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
WO-1993020045-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR THE PREPARATION OF SAME AND THEIR APPLICATION AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO 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 (1 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 MEN1 387/4885KMT2A 3881/4885KDM4E 3198/4885

“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.