SCHEMBL10041736

SCHEMBL10041736

CC1(C)OB(c2cc(-c3cccc(-c4ccccn4)n3)ccc2C=O)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
ALPL P05186 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 4/20 0.37
RAB9A P51151 2/20 0.37
ERN1 O75460 1/20 0.37
PIK3CD O00329 1/20 0.34

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
SCHEMBL12568476 0.86 SMN1; SMN2 (0.35) SMN1; SMN2KDM4ECCR1CCR5CCR8
SCHEMBL13350198 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ECCR1CCR5CCR8
SCHEMBL10041720 0.77 LIPG (0.53) KDM4ENPC1RAB9AERN1LPL
SCHEMBL14243600 0.76 KDM4E (0.49) SMN1; SMN2KDM4ECCR1CCR5CCR8
SCHEMBL14243962 0.76 KDM4E (0.49) SMN1; SMN2KDM4ECCR1CCR5CCR8
SCHEMBL10041730 0.76 LIPG (0.59) SMN1; SMN2KDM4ELMNAERN1LPL
SCHEMBL10041737 0.74 CCR1 (0.50) SMN1; SMN2KDM4ECCR1CCR5CCR8
SCHEMBL23059128 0.73 KDM4E (0.41) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL21541550 0.72 ALDH1A1 (0.39) SMN1; SMN2KDM4ETP53HSP90AA1ALOX15
SCHEMBL28356273 0.72 CTSD (0.38) LMNAMAPK1LPLLIPGMEN1

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-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
EP-2570412-A1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG Chem, Ltd. (KR) 2013-03-20 EP disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 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 (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-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 SMN1; SMN2 1168/4885KDM4E 382/4885CCR1 4406/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 SMN1; SMN2 1168/4885KDM4E 382/4885CCR1 4406/4885

“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.