SCHEMBL2098564

SCHEMBL2098564

O=c1[nH]c2c(ccc3ccccc32)c(=O)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.67
F2 P00734 1/20 0.55
CFD P00746 1/20 0.55
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
KIF11 P52732 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KMT2A Q03164 2/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL31544616 0.80 MCL1 (1.00) MCL1F2CFDALDH1A1HPGD
SCHEMBL5407779 0.80 MCL1 (1.00) MCL1F2CFDALDH1A1HPGD
SCHEMBL17643178 0.76 MAPT (0.54) MCL1F2CFDALDH1A1HPGD
SCHEMBL21658311 0.76 F2 (0.55) MCL1F2CFDALDH1A1SMN1; SMN2
SCHEMBL23530348 0.75 KIF11 (0.59) MCL1ALDH1A1HPGDKDM4EHTT
SCHEMBL5466693 0.74 KIF11 (0.75) MCL1ALDH1A1HPGDKDM4EHTT
SCHEMBL29368226 0.74 KIF11 (0.75) MCL1ALDH1A1HPGDKDM4EHTT
SCHEMBL30914261 0.74 KIF11 (0.75) MCL1ALDH1A1HPGDKDM4EHTT
SCHEMBL7485156 0.74 F2 (0.58) MCL1F2CFDALDH1A1HPGD
SCHEMBL17643170 0.73 NCOA1 (0.49) MCL1F2CFDKDM4EHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197982-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed
US-10544360-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
WO-2016045765-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-03-31 WO disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 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 (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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 MCL1 3305/4885F2 692/4885CFD 2896/4885

“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.