SCHEMBL6356701

SCHEMBL6356701

O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
APEX1 P27695 1/20 0.53
GFER P55789 1/20 0.52
LSS P48449 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SORT1 Q99523 1/20 0.51
RPS6KA3 P51812 1/20 0.51
MTTP P55157 1/20 0.51
IDH1 O75874 1/20 0.51
MT-CO2 P00403 1/20 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
SCHEMBL5574721 0.89 P2RX7 (0.57) MAPK14HPGDLMNATP53LSS
SCHEMBL27317568 0.86 NPC1 (0.72) HPGDLMNATP53NPC1RAB9A
SCHEMBL8404892 0.84 NPC1 (0.62) MAPK14APEX1LSSNPC1RAB9A
SCHEMBL205506 0.84 MAPK14 (0.54) MAPK14HPGDLMNATP53LSS
SCHEMBL15686619 0.84 KMT2A (0.70) HPGDLMNAAPEX1GFERNPC1
SCHEMBL28146188 0.83 LMNA (0.60) MAPK14HPGDLMNANPC1RAB9A
SCHEMBL6358889 0.83 ALDH1A1 (0.65) HPGDLMNAAPEX1GFERNPC1
SCHEMBL5860823 0.83 NPC1 (0.71) HPGDLMNATP53APEX1GFER
SCHEMBL3577180 0.83 KDM4E (0.68) MAPK14HPGDAPEX1LSSALDH1A1
SCHEMBL29917968 0.81 MAPK1 (0.51) MAPK14HPGDLMNALSSALDH1A1

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 467 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
CN-1033797-A The N-phenylalkylbenzamidefungicides fungicides LILLY CO ELI (US) 1989-07-12 CN claimed
CN-101851244-B Substituted phenyl keto enols as pesticides and herbicides BAYER AG 2013-08-21 CN disclosed
CN-103188935-A Penflufen as a wood preservative against xylophagous basidiomycetes LANXESS DEUTSCHLAND GMBH 2013-07-03 CN disclosed
CN-102939967-A Biocidal mixtures and use LANXESS DEUTSCHLAND GMBH 2013-02-27 CN disclosed
CN-102781977-A SILOXANE SURFACE-MODIFIED HYDROGEL AND HYDROGEL MICROPARTICLE COMPOSITIONS DOW CORNING 2012-11-14 CN disclosed
CN-102497776-A Inorganic carrier materials containing nitrogen LANXESS DEUTSCHLAND GMBH 2012-06-13 CN disclosed
CN-102458106-A Inorganic support material containing heterocyclic 3-membered ring compounds LANXESS DEUTSCHLAND GMBH 2012-05-16 CN disclosed
CN-1895048-B Synergistic insecticidal mixtures BAYER CROPSCIENCE AG 2012-04-11 CN disclosed
CN-102293217-A Insecticides based on selected neonicotinoids and strobilurins 2011-12-28 CN disclosed
WO-1996000718-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-11 WO disclosed
WO-1995033717-A2 HETEROCYCLIC IMINO DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1995-12-14 WO disclosed
CN-1110680-A Substituted 1H-3-aryl-pyrrolidine-2,4-diones derivative BYLL GMBH (DE) 1995-10-25 CN disclosed
CN-1105810-A Azine derivatives YASHIMA KAGAKU KOGYO KK (JP) 1995-08-02 CN disclosed
CN-1103642-A 3-aryl-4-hydroxy-delta3-dihydrofuransKetone derivatives BAYER AG (DE) 1995-06-14 CN disclosed
CN-1102757-A Colloidally dispersible acive compound BAYER AG (DE) 1995-05-24 CN disclosed
WO-1995005367-A1 3-METHOXY-2-PHENYLACRYLIC ACID METHYL ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1995-02-23 WO disclosed
WO-1995000496-A1 ARALKYLAMINOQUINAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed
CN-1033797-A The N-phenylalkylbenzamidefungicides fungicides LILLY CO ELI (US) 1989-07-12 CN 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 (1 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 MAPK14 2671/4885HPGD 586/4885LMNA 1197/4885

“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.