SCHEMBL3323097

SCHEMBL3323097

[CH2]Sc1ccc(C(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 4/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 3/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
HAO1 Q9UJM8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
HSD17B3 P37058 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 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
SCHEMBL25325181 0.83 RAB9A (0.51) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL6249003 0.79 KDM4E (0.49) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL28737917 0.79 RAB9A (0.49) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL2585379 0.76 ALDH1A1 (0.56) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL22928065 0.75 RAB9A (0.45) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL23048491 0.75 ALDH1A1 (0.47) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL14350432 0.75 ALDH1A1 (0.52) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL11476798 0.73 RAB9A (0.48) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL5717582 0.72 ALDH1A1 (0.61) RAB9AALDH1A1RECQLKMT2AKDM4E
SCHEMBL27565011 0.72 KMT2A (0.53) RAB9AALDH1A1RECQLKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US claimed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP claimed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US claimed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP claimed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 WO claimed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP disclosed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US disclosed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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 (2 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 RAB9A 3330/4885ALDH1A1 846/4885RECQL 4302/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 RAB9A 3330/4885ALDH1A1 846/4885RECQL 4302/4885

“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.