SCHEMBL6130670

SCHEMBL6130670

COc1cc(OC)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.56
CCR1 P32246 3/20 0.51
CCR5 P51681 3/20 0.51
CCR8 P51685 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
PKM P14618 2/20 0.51
GRM5 P41594 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
CYP1A2 P05177 3/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP1A1 P04798 2/20 0.50
CYP2E1 P05181 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2A6 P11509 2/20 0.50

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
SCHEMBL197885 0.90 HSP90AA1 (0.66) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL31260432 0.89 NPC1 (0.57) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL7454751 0.89 NPC1 (0.57) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL28208710 0.86 CYP1A2 (0.56) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL4951059 0.84 KDM4E (0.70) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL12655918 0.83 ACACA (0.52) HSP90AA1SMN1; SMN2NPC1RAB9APKM
SCHEMBL8248415 0.82 NPC1 (0.52) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL31187066 0.82 NPC1 (0.51) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL12925673 0.82 KDM4E (0.67) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
Formaldehyde SCHEMBL28904784 0.81 KAT6A (0.52) HSP90AA1CCR1CCR5CCR8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports IBC ADVANCED TECHNOLOGIES, INC. 2005-03-24 US disclosed
EP-1453602-A4 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECH INC (US) 2005-01-12 EP disclosed
EP-1453602-A2 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECHNOLOGIES, INC. (US) 2004-09-08 EP disclosed
US-6774082-B2 COMPOSITION FOR USE IN THE SEPARATION OF PREFERENTIAL BIOPOLYMERS FROM SAMPLE IBC ADVANCED TECHNOLOGIES, INC. 2004-08-10 US disclosed
US-20030050458-A1 Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences IBC ADVANCED TECHNOLOGIES, INC. 2003-03-13 US disclosed
WO-2002092766-A2 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECHNOLOGIES, INC. (US) 2002-11-21 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 (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-20030050458-A1 Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences NUDT1, ATIC, PNP HSP90AA1 3208/4885CCR1 853/4885CCR5 451/4885
US-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports NUDT1, PCNA, NSUN2 HSP90AA1 3584/4885CCR1 719/4885CCR5 276/4885

“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.