SCHEMBL8737582

SCHEMBL8737582

CCCCOP(=O)(OCCCC)Oc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 3/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MTOR P42345 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10262788 0.89 ALDH1A1 (0.38) ALDH1A1NPC1HPGDRAB9AKDM4E
SCHEMBL13232463 0.85 NPC1 (0.36) ALDH1A1NPC1HPGDRAB9AKDM4E
SCHEMBL10267983 0.85 ALDH1A1 (0.36) ALDH1A1NPC1HPGDRAB9AKDM4E
SCHEMBL8738290 0.85 MEN1 (0.39) ALDH1A1ADORA2AADORA1ADORA3NPC1
SCHEMBL2798406 0.81 NPC1 (0.40) ALDH1A1NPC1HPGDRAB9AKDM4E
SCHEMBL2795234 0.81 NPC1 (0.40) ALDH1A1NPC1HPGDRAB9AKDM4E
SCHEMBL13262827 0.80 MAPT (0.41) ALDH1A1ADORA2AADORA1NPC1HPGD
SCHEMBL10263425 0.78 KDM4E (0.38) ALDH1A1ADORA2AADORA1HPGDKDM4E
SCHEMBL18084361 0.78 CTSG (0.46) ALDH1A1NPC1HPGDRAB9AKDM4E
SCHEMBL339931 0.75 MEN1 (0.41) ALDH1A1NPC1HPGDRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029394-B2 2-phenyl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-12 US disclosed
US-9023867-B2 Hydrophilic derivatives of 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 US disclosed
US-9023866-B2 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 US disclosed
EP-2468747-B1 2-Selenophene-4-quinolones as anticancer agents UNIV CHINA MEDICAL (TW) 2014-09-03 EP disclosed
US-20130252999-A1 2-PHENYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-26 US disclosed
US-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-26 US disclosed
US-20130244983-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-19 US disclosed
US-8440692-B2 Hydrophilic derivatives of 2-aryl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2013-05-14 US disclosed
EP-2468747-A1 2-Selenophene-4-quinolones as anticancer agents China Medical University (TW) 2012-06-27 EP disclosed
EP-2455369-A1 Derivatives of 2-aryl-4-quinolones having an aminoalkyl group as anticancer agents China Medical University (TW) 2012-05-23 EP disclosed
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2010-07-01 US disclosed
WO-2008070176-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2008-06-12 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 (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-20130244983-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS DHX30, SLC20A2, SLC20A1 ALDH1A1 3332/4885ADORA2A 2137/4885ADORA1 2704/4885
US-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS DDX5, DHX30, PPIP5K2 ALDH1A1 3657/4885ADORA2A 2439/4885ADORA1 3240/4885
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS DHX30, SLC20A2, DDX20 ALDH1A1 3130/4885ADORA2A 2474/4885ADORA1 3133/4885
US-20130252999-A1 2-PHENYL-4-QUINOLONES AS ANTICANCER AGENTS PPIP5K2, DDX5, DHX30 ALDH1A1 3490/4885ADORA2A 2450/4885ADORA1 3248/4885

“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.