SCHEMBL3014252

SCHEMBL3014252

O=C1CC(CO)=Nc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MAPT P10636 7/20 0.36
KDM4E B2RXH2 4/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APAF1 O14727 2/20 0.36
LMNA P02545 2/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 1/20 0.36
HK1 P19367 1/20 0.36
GALK1 P51570 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
HPGD P15428 2/20 0.34
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
RECQL P46063 2/20 0.33
SRC P12931 2/20 0.33
CTRB1 P17538 2/20 0.33

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
SCHEMBL9175519 0.83 SHMT2 (0.34) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL4764684 0.82 SHMT2 (0.39) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL14311341 0.82 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL19211201 0.82 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL8780480 0.80 PTPN1 (0.35) ALDH1A1MAPTKDM4ETSHRAPAF1
SCHEMBL2821603 0.79 PTPN1 (0.40) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL9176975 0.78 KDM4E (0.32) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL472874 0.78 LMNA (0.34) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL21065455 0.78 PTPN1 (0.42) TSHRL3MBTL1LMNACES1TDP1
Phosphoric Acid SCHEMBL27784283 0.77 CETP (0.39) MEN1KMT2AHPGD

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
US-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDACAO UNIVERSIDADE FEDERAL DE SAO CARLOS (BR) 2010-08-05 US claimed
EP-2167468-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF Fundação Universidade Federal De São Carlos (BR) 2010-03-31 EP claimed
WO-2008144865-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDAÇÃO UNIVERSIDADE FEDERAL DE SÃO CARLOS (BR) 2008-12-04 WO claimed
US-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDACAO UNIVERSIDADE FEDERAL DE SAO CARLOS (BR) 2010-08-05 US disclosed
EP-2167468-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF Fundação Universidade Federal De São Carlos (BR) 2010-03-31 EP disclosed
WO-2008144865-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDAÇÃO UNIVERSIDADE FEDERAL DE SÃO CARLOS (BR) 2008-12-04 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-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF PF4, KCNQ1, KCNQ2 ALDH1A1 2185/4885MAPT 3852/4885KDM4E 599/4885

“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.