SCHEMBL15934397

SCHEMBL15934397

COc1cc(F)c([N+](=O)[O-])cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ ESPL1 Q14674 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ TTR P02766 1/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL31152532 0.86 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL31377991 0.85 ALDH1A1 (0.58) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL1766175 0.85 ALDH1A1 (0.58) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL30801468 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL4279356 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL6814613 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL12458650 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL14782151 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL30230904 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL15744027 0.81 ALDH1A1 (0.46) ALDH1A1TDP1MAPTKDM4ECYP3A4

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
EP-2943474-B1 BIARYL- OR HETEROCYCLIC BIARYL-SUBSTITUTED CYCLOHEXENE DERIVATIVE COMPOUNDS AS CETP INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2017-07-05 — — EP disclosed
US-9493430-B2 Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as CETP inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-11-15 — — US disclosed
US-9493430-B2 Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as CETP inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-11-15 — — US disclosed
US-20160237046-A9 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-08-18 — — US disclosed
US-20160237046-A9 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-08-18 — — US disclosed
WO-2015175632-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-11-19 — — WO disclosed
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARM CORP (KR) 2015-11-12 — — US disclosed
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARM CORP (KR) 2015-11-12 — — US disclosed
WO-2014119947-A1 BIARYL- OR HETEROCYCLIC BIARYL-SUBSTITUTED CYCLOHEXENE DERIVATIVE COMPOUNDS AS CETP INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-08-07 — — 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-20160237046-A9 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 ALDH1A1 3741/4885TDP1 1463/4885MAPT 3024/4885
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 ALDH1A1 3741/4885TDP1 1463/4885MAPT 3024/4885

“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.

Send feedback