SCHEMBL8738290

SCHEMBL8738290

CCCCOP(=O)(OCCCC)Oc1cc(-c2cccc(F)c2)nc2cc3c(cc12)OCO3

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13262827 0.89 MAPT (0.41) MEN1KMT2ANPC1DHODHALDH1A1
SCHEMBL8737582 0.85 ALDH1A1 (0.38) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL13232467 0.85 MAPT (0.40) MEN1KMT2APOLBNPC1DHODH
SCHEMBL10262788 0.83 ALDH1A1 (0.38) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL8737365 0.83 KDM4E (0.49) MEN1KMT2ADHODHALDH1A1KDM4E
SCHEMBL2798780 0.82 KMT2A (0.45) MEN1KMT2APOLBNPC1DHODH
SCHEMBL10263425 0.81 KDM4E (0.38) ALDH1A1ADORA1ADORA2AKDM4EMAPT
SCHEMBL8737803 0.80 DHODH (0.44) MEN1KMT2ADHODHALDH1A1KDM4E
SCHEMBL10267983 0.79 ALDH1A1 (0.36) NPC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL15233650 0.76 PDGFRB (0.37) MEN1KMT2ADHODHKDM4EMAPT

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
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
US-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-26 US disclosed
US-20130252999-A1 2-PHENYL-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 MEN1 3325/4885KMT2A 3070/4885POLB 1553/4885
US-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS DDX5, DHX30, PPIP5K2 MEN1 2925/4885KMT2A 2349/4885POLB 1025/4885
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS DHX30, SLC20A2, DDX20 MEN1 3774/4885KMT2A 2887/4885POLB 1079/4885
US-20130252999-A1 2-PHENYL-4-QUINOLONES AS ANTICANCER AGENTS PPIP5K2, DDX5, DHX30 MEN1 3533/4885KMT2A 2429/4885POLB 1051/4885

“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.