SCHEMBL5583739

SCHEMBL5583739

C=CCc1c(O)ccc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
KDM4E B2RXH2 9/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 2/20 0.44
HSP90AA1 P07900 2/20 0.44
IDO1 P14902 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.43
CASP1 P29466 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.40
APP P05067 1/20 0.39
LMNA P02545 3/20 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
SCHEMBL430744 0.81 MAPT (0.47) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL5583935 0.77 MEN1 (0.49) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL3956275 0.77 MAPT (0.43) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL6398012 0.74 SRD5A1 (0.49) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL14456656 0.73 CNR2 (0.40) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL5583730 0.73 LTA4H (0.44) KDM4EMAPTRAB9AL3MBTL1NPC1
SCHEMBL1325658 0.73 HSD17B10 (0.63) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL431328 0.73 MAPT (0.48) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL31201820 0.73 HSD17B10 (0.63) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL323547 0.72 XDH (0.54) KDM4EMAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HTR3C, HTR3A, HTR2C ERN1 4525/4885KDM4E 2356/4885MAPT 1774/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C ERN1 4525/4885KDM4E 2356/4885MAPT 1774/4885

“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.