SCHEMBL1783580

SCHEMBL1783580

CC1=C(C)C(=O)C(CCCC(=O)NCCc2ccccn2)=C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MAPK1 P28482 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL1786050 0.82 HDAC3 (0.58) KMT2AMEN1LMNAPKMRAB9A
SCHEMBL1658955 0.80 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2RAB9APOLB
SCHEMBL1657692 0.80 ALDH1A1 (0.62) SMN1; SMN2TDP1ALDH1A1HTTRAB9A
SCHEMBL2059198 0.80 LMNA (0.44) KMT2AMEN1SMN1; SMN2TDP1LMNA
SCHEMBL1658972 0.79 L3MBTL1 (0.52) KMT2ASMN1; SMN2RAB9AALOX15
SCHEMBL2186652 0.78 KMT2A (0.56) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL21998668 0.78 KMT2A (0.56) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL21998738 0.78 KMT2A (0.56) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL21998743 0.78 KMT2A (0.56) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL1659406 0.78 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
US-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US disclosed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 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 (2 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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 KMT2A 2889/4885MEN1 4556/4885SMN1; SMN2 302/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 KMT2A 2889/4885MEN1 4556/4885SMN1; SMN2 302/4885

“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.