SCHEMBL1758445

SCHEMBL1758445

CCCC=Nc1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.53
LMNA P02545 5/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 7/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MPI P34949 1/20 0.41
GAA P10253 3/20 0.41
HTT P42858 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 3/20 0.37

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
SCHEMBL1758444 1.00 CYP2C9 (0.53) CYP2C9LMNAHPGDMAPTKDM4E
SCHEMBL11054883 0.87 CYP2C9 (0.41) CYP2C9LMNAHPGDMAPTKDM4E
SCHEMBL11054888 0.87 CYP2C9 (0.41) CYP2C9LMNAHPGDMAPTKDM4E
SCHEMBL27775481 0.87 CYP2C9 (0.49) CYP2C9LMNAHPGDMAPTKDM4E
SCHEMBL13376542 0.83 CYP2C9 (0.57) CYP2C9LMNAHPGDMAPTKDM4E
SCHEMBL21648660 0.78 GAA (0.45) CYP2C9LMNAMAPTKDM4EALDH1A1
SCHEMBL29472028 0.78 CYP2C9 (0.59) CYP2C9LMNAHPGDMAPTKDM4E
SCHEMBL239325 0.78 CYP2C9 (0.59) CYP2C9LMNAHPGDMAPTKDM4E
SCHEMBL239326 0.78 CYP2C9 (0.59) CYP2C9LMNAHPGDMAPTKDM4E
SCHEMBL23644549 0.78 MEN1 (0.35) MAPTKDM4EALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787173-A Metal complexes 默克专利有限公司 2022-07-22 CN disclosed
EP-3956338-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2022-02-23 EP disclosed
CN-113646317-A Metal complexes 默克专利有限公司 2021-11-12 CN disclosed
CN-109563115-B Method for separating enantiomeric mixtures of metal complexes 默克专利有限公司 2021-10-01 CN disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 WO disclosed
CN-107849077-B Bridged electroluminescent metal complexes for use in electronic devices 默克专利有限公司 2021-02-26 CN disclosed
WO-2020212296-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-10-22 WO disclosed
CN-105916868-B Metal complexes 默克专利有限公司 2020-06-23 CN disclosed
CN-105555792-B Polycyclic phenylpyridine iridium complexes and derivatives thereof for OLEDs 默克专利有限公司 2019-12-31 CN disclosed
EP-3478698-A1 METHOD FOR THE SEPARATION OF ENANTIOMERIC MIXTURES FROM METAL COMPLEXES Merck Patent GmbH (DE) 2019-05-08 EP disclosed
CN-104520308-A Metal complexes MERCK PATENT GMBH 2015-04-15 CN disclosed
CN-104428392-A Metal complexes MERCK PATENT GMBH 2015-03-18 CN disclosed
CN-102317407-B Metal complexes containing azaborol ligands and electronic devices containing the same MERCK PATENT GMBH 2014-12-31 CN disclosed
CN-101668780-B Method for producing modified conjugated diene polymer, modified conjugated diene polymer, and rubber composition JSR CORP 2012-11-28 CN disclosed
CN-101679571-B Conjugated diene copolymer rubber, process for producing the same, rubber composition, and tire JSR CORP. (JP) 2012-02-01 CN disclosed
US-20110108769-A1 Complexes for Use In Optoelectronic Components MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
CN-101679571-A Conjugated diene copolymer rubber, process for producing the same, rubber composition, and tire JSR CORP 2010-03-24 CN disclosed
CN-101668780-A Method for producing modified conjugated diene polymer, modified conjugated diene polymer, and rubber composition JSR CORP 2010-03-10 CN disclosed
EP-1110941-B1 Process for the codimerisation of polyunsaturated fatty compounds and olefines with iron complexes INST FRANCAIS DU PETROLE (FR) 2004-03-17 EP disclosed
EP-1110941-A1 Process for the codimerisation of polyunsaturated fatty compounds and olefines with iron complexes INSTITUT FRANCAIS DU PETROLE (FR) 2001-06-27 EP 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-20110108769-A1 Complexes for Use In Optoelectronic Components OSTC, INTS9, NBAS CYP2C9 3077/4885LMNA 1660/4885HPGD 4485/4885

“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.