SCHEMBL13401733

SCHEMBL13401733

O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 1.00
TDP1 Q9NUW8 1/20 1.00
HSD17B10 Q99714 12/20 0.78
ALDH1A1 P00352 11/20 0.78
HPGD P15428 10/20 0.78
CASP1 P29466 9/20 0.78
CASP7 P55210 9/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
GAA P10253 2/20 0.78
POLB P06746 2/20 0.78
ESR1 P03372 2/20 0.78
ESR2 Q92731 1/20 0.78
MAPT P10636 7/20 0.74
TSHR P16473 5/20 0.74
GLA P06280 1/20 0.74
MAPK1 P28482 5/20 0.70
ALOX15 P16050 3/20 0.70
USP2 O75604 2/20 0.70
CYP1A2 P05177 1/20 0.70

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
SCHEMBL4206860 0.85 HPGD (1.00) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL4216963 0.85 HPGD (1.00) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL4204320 0.85 HPGD (0.84) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL4204615 0.85 HPGD (0.84) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL4206173 0.84 HPGD (0.82) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL6030709 0.82 KDM4E (0.69) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL6030811 0.82 KDM4E (0.69) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL3283135 0.82 KDM4E (0.84) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL4207270 0.80 KDM4E (1.00) KDM4ETDP1HSD17B10ALDH1A1HPGD
SCHEMBL13856428 0.79 MAPT (1.00) KDM4ETDP1HSD17B10ALDH1A1HPGD

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-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 US disclosed
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 US disclosed
US-8445537-B2 Compounds that inhibit human DNA ligases and methods of treating cancer STC.UNM (US) 2013-05-21 US disclosed
US-8445537-B2 Compounds that inhibit human DNA ligases and methods of treating cancer STC.UNM (US) 2013-05-21 US disclosed
US-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US disclosed
US-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US 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-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 KDM4E 1696/4885TDP1 58/4885HSD17B10 1610/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 KDM4E 1696/4885TDP1 58/4885HSD17B10 1610/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 KDM4E 1696/4885TDP1 58/4885HSD17B10 1610/4885

“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.