SCHEMBL13036181

SCHEMBL13036181

COc1ccc(C)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 3/20 0.49
PSMD14 O00487 1/20 0.49
COPS5 Q92905 1/20 0.49
SLC6A2 P23975 1/20 0.49
HSP90AA1 P07900 2/20 0.48
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NSD2 O96028 1/20 0.47
CASP6 P55212 1/20 0.47
G6PD P11413 1/20 0.47
SYK P43405 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MMP14 P50281 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1506959 0.86 HTR1A (0.53) KMT2AMEN1HTTHSP90AA1NPC1
SCHEMBL8277995 0.85 HTR1A (0.53) PSMD14COPS5CCR1CCR8
SCHEMBL3147583 0.85 PSMD14 (0.58) KMT2AMEN1HTTPSMD14COPS5
SCHEMBL12180599 0.81 MEN1 (0.50) KMT2AMEN1SMN1; SMN2HTTPSMD14
SCHEMBL12599430 0.80 SYK (0.47) KMT2AMEN1SMN1; SMN2HTTHSP90AA1
SCHEMBL1132599 0.80 G6PD (0.54) SMN1; SMN2HTTHSP90AA1NPC1L3MBTL1
SCHEMBL12566073 0.80 NSD2 (0.54) KMT2AMEN1SMN1; SMN2HTTHSP90AA1
SCHEMBL625749 0.80 NSD2 (0.62) KMT2AMEN1HTTHSP90AA1NPC1
SCHEMBL2224753 0.80 HSP90AA1 (0.62) KMT2AMEN1SMN1; SMN2HTTSLC6A2
SCHEMBL812451 0.80 HTT (0.70) KMT2AMEN1SMN1; SMN2HTTPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245191-B1 QUINOLINES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2020-09-30 EP disclosed
CN-107721920-B Synthesis method of quinoline amide compound 济南大学 2020-07-07 CN disclosed
WO-2019215426-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 WO disclosed
WO-2019215427-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 WO disclosed
US-10144712-B2 Quinolines and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-12-04 US disclosed
US-20180009759-A1 Quinolines and Process for the Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-01-11 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 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 (4 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-20180009759-A1 Quinolines and Process for the Preparation Thereof NQO1, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 147/4885MEN1 425/4885SMN1; SMN2 4331/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KMT2A 2329/4885MEN1 3840/4885SMN1; SMN2 4172/4885
US-10144712-B2 Quinolines and process for the preparation thereof NQO1, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 147/4885MEN1 425/4885SMN1; SMN2 4331/4885
US-20080015190-A1 Inhibitors of Histone Deacetylase HDAC5, HDAC1, HDAC4 KMT2A 55/4885MEN1 3547/4885SMN1; SMN2 1474/4885

“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.