SCHEMBL6534299

SCHEMBL6534299

O=c1cc(-c2ccccc2)[nH]c2ccc(F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 1.00
ALDH1A1 P00352 8/20 1.00
LMNA P02545 7/20 1.00
KDM4E B2RXH2 7/20 1.00
SMN1; SMN2 Q16637 3/20 0.73
CTSV O60911 2/20 0.69
CTSL P07711 2/20 0.69
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
TP53 P04637 2/20 0.68
HSD17B10 Q99714 2/20 0.68
MAPT P10636 2/20 0.68
TUBB4A P04350 1/20 0.68
TUBB P07437 1/20 0.68
TUBA3C P0DPH7 1/20 0.68
TUBA1B P68363 1/20 0.68
TUBA4A P68366 1/20 0.68
TUBB4B P68371 1/20 0.68
TUBB3 Q13509 1/20 0.68
TUBB2A Q13885 1/20 0.68

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
SCHEMBL6295964 0.89 ALDH1A1 (0.81) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL9389628 0.87 LMNA (1.00) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL312265 0.84 SMN1; SMN2 (0.74) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6300496 0.84 ALDH1A1 (0.82) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL2630603 0.83 HPGD (0.76) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6001399 0.82 CTSV (1.00) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL29411879 0.82 CTSV (1.00) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6294903 0.81 ALDH1A1 (0.68) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL29411863 0.81 HPGD (1.00) HPGDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL367268 0.81 HPGD (1.00) HPGDALDH1A1LMNAKDM4ESMN1; SMN2

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 23 patents — showing the first 20. 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-9029394-B2 2-phenyl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-12 US disclosed
US-9023866-B2 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 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-9023867-B2 Hydrophilic derivatives of 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 US 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-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-8440692-B2 Hydrophilic derivatives of 2-aryl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2013-05-14 US disclosed
EP-2096924-B1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS UNIV CHINA MEDICAL (TW) 2013-02-13 EP 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
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
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP 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-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS DDX5, DHX30, PPIP5K2 HPGD 2847/4885ALDH1A1 3657/4885LMNA 4703/4885
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS DHX30, SLC20A2, DDX20 HPGD 1886/4885ALDH1A1 3130/4885LMNA 4383/4885
US-20130252999-A1 2-PHENYL-4-QUINOLONES AS ANTICANCER AGENTS PPIP5K2, DDX5, DHX30 HPGD 2307/4885ALDH1A1 3490/4885LMNA 4539/4885

“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.