SCHEMBL7350621

SCHEMBL7350621

O=c1[nH]c2cc(Cl)ccc2c(=O)cc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.65
LMNA P02545 3/20 0.60
HPGD P15428 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK1 P28482 1/20 0.59
BLM P54132 1/20 0.59
PARP1 P09874 1/20 0.59
GRIN2D O15399 3/20 0.56
GRIN3B O60391 3/20 0.56
GRIN1 Q05586 3/20 0.56
GRIN2A Q12879 3/20 0.56
GRIN2B Q13224 3/20 0.56
GRIN2C Q14957 3/20 0.56
GRIN3A Q8TCU5 3/20 0.56
ALDH1A1 P00352 3/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL9007825 0.86 DAO (0.65) DAOLMNAHPGDMEN1KMT2A
SCHEMBL9086944 0.79 LMNA (0.70) DAOLMNAHPGDMEN1KMT2A
SCHEMBL7811758 0.79 LMNA (0.60) DAOLMNAHPGDMEN1KMT2A
SCHEMBL9007836 0.79 METAP2 (0.49) DAOLMNAHPGD
SCHEMBL9007832 0.79 DAO (0.65) DAOLMNAHPGDMEN1KMT2A
SCHEMBL9387738 0.79 DAO (0.65) DAOLMNAMEN1KMT2AKDM4E
SCHEMBL16767847 0.79 DAO (1.00) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20693887 0.77 LMNA (0.57) DAOLMNAHPGDMEN1KMT2A
SCHEMBL2639080 0.77 DAO (0.61) DAOLMNAHPGDMEN1KMT2A
SCHEMBL8874832 0.76 PARP1 (0.75) DAOLMNAHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517876-B1 THERAPEUTIC BENZAZEPINE COMPOUNDS ZENECA LTD (GB) 1996-10-23 EP claimed
US-5446039-A Treating nervous system and brain disorder, acting as excitatory amino acid antagonist IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-08-29 US claimed
US-5254683-A Neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US claimed
EP-0517876-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS. ICI PLC (GB) 1992-12-16 EP claimed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 WO claimed
US-20170072005-A1 COMBINATIONS OF NMDAR MODULATING COMPOUNDS UNIV NORTHWESTERN (US) 2017-03-16 US disclosed
US-20170072005-A1 COMBINATIONS OF NMDAR MODULATING COMPOUNDS UNIV NORTHWESTERN (US) 2017-03-16 US disclosed
WO-1998005337-A1 USE OF GABA AND NMDA RECEPTOR LIGANDS FOR THE TREATMENT OF MIGRAINE HEADACHE COCENSYS, INC. (US) 1998-02-12 WO disclosed
EP-0517876-B1 THERAPEUTIC BENZAZEPINE COMPOUNDS ZENECA LTD (GB) 1996-10-23 EP disclosed
US-5541319-A REACTING SUBSTITUTED BENZAZEPINE ETHER WITH BORON TRIHALIDE TO FORM HYDROXY GROUP, FORMING SALT WITH BASE IF DESIRED ZENECA LIMITED (GB) 1996-07-30 US disclosed
US-5446039-A Treating nervous system and brain disorder, acting as excitatory amino acid antagonist IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-08-29 US disclosed
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed
US-5254683-A Neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0517876-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS. ICI PLC (GB) 1992-12-16 EP disclosed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 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 (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-20170072005-A1 COMBINATIONS OF NMDAR MODULATING COMPOUNDS GRIN1, GRIN2A, GRIN3A DAO 785/4885LMNA 4744/4885HPGD 4026/4885

“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.