SCHEMBL2393479

SCHEMBL2393479

N#CCc1ccc(O)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
MCL1 Q07820 1/20 0.46
MMP3 P08254 1/20 0.45
SGMS2 Q8NHU3 2/20 0.43
SLC2A1 P11166 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CYP1A2 P05177 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ATP4A P20648 1/20 0.42
MAPK1 P28482 1/20 0.42
ATP4B P51164 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 4/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1465482 0.86 SLC2A1 (0.49) SLC2A1CYP1A2HDAC6MEN1CYP3A4
SCHEMBL18906399 0.82 ELANE (0.43) MMP3CYP1A2HDAC6MEN1CYP3A4
SCHEMBL1465669 0.82 MGAM (0.46) SGMS2CYP1A2HDAC6MEN1CYP3A4
SCHEMBL28877560 0.81 FOLH1 (0.53) MCL1MEN1KMT2AMAOB
SCHEMBL16981016 0.81 TTR (0.51) APPMCL1SLC2A1SIRT1CYP1A2
SCHEMBL1464842 0.81 MAPK1 (0.55) APPCYP1A2HDAC6MEN1CYP3A4
SCHEMBL30028270 0.81 MEN1 (0.56) APPCYP1A2MEN1CYP3A4CYP2D6
SCHEMBL6355596 0.81 MEN1 (0.56) APPCYP1A2MEN1CYP3A4CYP2D6
SCHEMBL9454596 0.80 APP (0.50) APPMCL1SLC2A1SIRT1CYP1A2
SCHEMBL6895161 0.80 ALDH1A1 (0.50) MEN1MAPK1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605275-B Synthesis method of bromine-free dopamine hydrochloride 上海现代哈森(商丘)药业有限公司 2023-10-03 CN disclosed
CN-114605275-A Novel synthesis method of dopamine without bromine hydrochloride 上海现代哈森(商丘)药业有限公司 2022-06-10 CN disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
CN-102770182-B Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2014-10-29 CN disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
CN-102770182-A Substituted isoquinolinones and quinazolinones NOVARTIS AG 2012-11-07 CN disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 APP 1098/4885MCL1 395/4885MMP3 4759/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 APP 1098/4885MCL1 395/4885MMP3 4759/4885

“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.