SCHEMBL447466

SCHEMBL447466

COc1cc2c(c(Br)c1OC)CN(Cc1ccc(C(=O)O)cc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PTPN1 P18031 1/20 0.39
ACP1 P24666 1/20 0.39
ENPP2 Q13822 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC2 Q92769 1/20 0.38
RXRA P19793 1/20 0.38
NR1H4 Q96RI1 1/20 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
SCHEMBL448440 0.90 MEN1 (0.44) ALDH1A1MAPK10KMT2AMEN1PDE4A
SCHEMBL3975612 0.88 MAPT (0.43) ALDH1A1KMT2AMEN1PDE4APDE4B
SCHEMBL3980428 0.83 GAA (0.40) MAPK10KMT2AMEN1PDE4APDE4B
SCHEMBL449975 0.81 HDAC1 (0.61) HDAC1HDAC6HDAC2
SCHEMBL436167 0.81 MEN1 (0.42) ALDH1A1MAPK10KMT2AMEN1ENPP2
SCHEMBL3974440 0.80 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL10145490 0.77 MEN1 (0.44) ALDH1A1KMT2AMEN1PDE4APDE4B
SCHEMBL3972272 0.77 CA1 (0.38) ALDH1A1PTPN1
SCHEMBL743176 0.77 LMNA (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3973411 0.76 CNR2 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
EP-0002895-B1 ENZYME INHIBITORY PHTHALAZIN-4-YLACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESS FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 EP claimed
US-4251528-A ALDOSE REDUCTASE INHIBITORS USEFUL IN DIABETES, GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-02-17 US claimed
EP-0002895-A1 Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-07-11 EP claimed
EP-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed
EP-2509602-B1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-01-25 EP disclosed
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
EP-2509602-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-10-17 EP disclosed
US-4203802-A ENZYME BOUND TO AN ESTROGEN LIGAND SYVA COMPANY (US) 1980-05-20 US disclosed
US-4190496-A RECEPTOR, LIGAND, AND ENZYME-BOUND SYVA COMPANY (US) 1980-02-26 US disclosed
EP-0002895-A1 Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-07-11 EP disclosed
US-4067774-A Compounds for enzyme amplification assay SYVA COMPANY (US) 1978-01-10 US disclosed
US-3975237-A LIGANDS SYVA COMPANY (US) 1976-08-17 US disclosed
US-3966556-A Compounds for enzyme amplification assay methadone analogs SYVA COMPANY (US) 1976-06-29 US disclosed
US-3966744-A Spin labeled compounds SYVA COMPANY (US) 1976-06-29 US disclosed
US-3959287-A Ligand determination of spin labeled compounds by receptor displacement SYVA COMPANY (US) 1976-05-25 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MAPK10 2608/4885KMT2A 3861/4885

“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.