SCHEMBL2958367

SCHEMBL2958367

Cc1cc(C#N)cc(I)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.54
ALB P02768 2/20 0.54
KDM4E B2RXH2 1/20 0.37
XDH P47989 2/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2A6 P11509 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
EGLN2 Q96KS0 3/20 0.31
POLB P06746 1/20 0.31
ABCC3 O15438 1/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
ABCB1 P08183 1/20 0.31

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
SCHEMBL5503660 0.88 TTR (0.43) TTRALBKDM4EXDHALDH1A1
SCHEMBL22197816 0.84 TTR (0.58) TTRALBKDM4EXDHALDH1A1
SCHEMBL1182463 0.84 ALDH1A1 (0.50) TTRALBKDM4EXDHALDH1A1
SCHEMBL30464787 0.82 ALDH1A1 (0.48) TTRALBKDM4EXDHALDH1A1
SCHEMBL27254466 0.78 TTR (0.58) TTRALBALDH1A1CYP2A6EGLN2
SCHEMBL2339085 0.78 ALDH1A1 (0.39) TTRALBKDM4EXDHALDH1A1
SCHEMBL24193570 0.77 TTR (0.83) TTRALBKDM4EALDH1A1CYP2A6
SCHEMBL11685893 0.77 ALDH1A1 (0.37) TTRALBKDM4EXDHALDH1A1
SCHEMBL988148 0.75 TTR (0.48) TTRALBXDHMAPTHTT
SCHEMBL1997670 0.75 TTR (0.48) TTRALBXDHEGLN2MEN1

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-11535637-B2 Compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2022-12-27 US disclosed
US-20200216475-A1 COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-07-09 US disclosed
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
US-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
US-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-04-23 US disclosed
WO-2007142426-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-12-13 WO disclosed
EP-1862454-A1 Novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and a pharmaceutical composition containing the same Amorepacific Corporation (KR) 2007-12-05 EP disclosed
EP-1861357-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 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 (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-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, VIPR1 TTR 1818/4885ALB 4255/4885KDM4E 4685/4885
US-11535637-B2 Compound and organic light emitting element comprising same NR2E3, NR4A2, NR2C2 TTR 4279/4885ALB 4320/4885KDM4E 2586/4885
US-20200216475-A1 COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME NR2E3, NR4A2, NR4A1 TTR 2849/4885ALB 3634/4885KDM4E 2582/4885

“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.