SCHEMBL5583766

SCHEMBL5583766

C=CCOc1cccc2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
NR3C1 P04150 2/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL14075127 0.88 SETDB1 (0.48) SETDB1CYP3A4CYP2A6MAPTHPGD
SCHEMBL3820470 0.82 CYP3A4 (0.57) SETDB1CYP3A4CYP2A6MAPTKDM4E
SCHEMBL5826025 0.81 SETDB1 (0.43) SETDB1CYP3A4CYP2A6MAPTHPGD
SCHEMBL94786 0.81 KDM4E (0.48) CYP3A4MAPTKDM4ENR3C1HTR1A
SCHEMBL23412378 0.80 MAPT (0.52) MAPTKDM4EHPGDNR3C1HTR1A
SCHEMBL10366733 0.80 MAPT (0.44) SETDB1CYP3A4MAPTKDM4EHPGD
SCHEMBL23412188 0.79 NCF1 (0.51) MAPTKDM4EHPGDHTR1AHTR1D
SCHEMBL96151 0.78 HTR1A (0.45) MAPTKDM4EHPGDNR3C1HTR1A
SCHEMBL23412437 0.77 NCF1 (0.58) MAPTKDM4EHPGDHTR1AHTR1D
SCHEMBL9601934 0.77 SYK (0.54) MAPTKDM4EMAPK1HSD17B10NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980954-B2 Quinoline derivatives for inhibiting histone methyltransferases and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-05-29 US disclosed
US-20170354650-A1 QUINOLINE DERIVATIVES FOR INHIBITING HISTONE METHYLTRANSFERASES AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-14 US disclosed
CN-100384849-C Quinoline 3-Aminochroman Derivatives WYETH CORP (US) 2008-04-30 CN disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
CN-1809574-A Quinoline 3-amino chroman derivatives WYETH CORP (US) 2006-07-26 CN disclosed
EP-1638976-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES Wyeth (US) 2006-03-29 EP disclosed
US-20050004157-A1 Quinoline 3-amino chroman derivatives WYETH 2005-01-06 US disclosed
WO-2004099214-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES WYETH (US) 2004-11-18 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 (3 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-20170354650-A1 QUINOLINE DERIVATIVES FOR INHIBITING HISTONE METHYLTRANSFERASES AND USE THEREOF NSD1, EHMT1, SETDB1 SETDB1 3/4885CYP3A4 3799/4885CYP2A6 4751/4885
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HTR3C, HTR3A, HTR2C SETDB1 3606/4885CYP3A4 155/4885CYP2A6 693/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C SETDB1 3606/4885CYP3A4 155/4885CYP2A6 693/4885

“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.