SCHEMBL13401697

SCHEMBL13401697

O=C(O)c1cc(Nc2ccccc2)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.67
▸ CTSV O60911 2/20 0.62
▸ CTSL P07711 2/20 0.62
▸ TDP1 Q9NUW8 3/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ GFER P55789 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 4/20 0.54
▸ POLB P06746 1/20 0.54
▸ NGLY1 Q96IV0 1/20 0.51
▸ AKR1C3 P42330 5/20 0.51
▸ AKR1C2 P52895 5/20 0.51
▸ AKR1C4 P17516 4/20 0.51
▸ AKR1C1 Q04828 4/20 0.51
▸ AR P10275 1/20 0.51
▸ AKR1B1 P15121 3/20 0.50

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
SCHEMBL15679878 0.86 MAPT (0.53) HCAR3CTSVCTSLTDP1L3MBTL1
SCHEMBL19334478 0.86 MAPT (0.53) HCAR3CTSVCTSLTDP1L3MBTL1
SCHEMBL9943157 0.83 L3MBTL1 (0.70) HCAR3CTSVCTSLTDP1L3MBTL1
SCHEMBL8833788 0.81 MAPT (0.67) HCAR3CTSVCTSLTDP1ALDH1A1
SCHEMBL2338616 0.80 HCAR3 (1.00) HCAR3L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2324319 0.79 TDP1 (0.60) HCAR3CTSVCTSLTDP1L3MBTL1
SCHEMBL28566156 0.79 CDC25B (0.77) HCAR3CTSVCTSLL3MBTL1GFER
SCHEMBL8619524 0.78 L3MBTL1 (0.69) HCAR3TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL351705 0.77 MAPT (0.79) CTSVCTSLTDP1ALDH1A1GFER
SCHEMBL9551960 0.77 CTSV (0.78) CTSVCTSLL3MBTL1GFERMEN1

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 10 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-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 HCAR3 3355/4885CTSV 2467/4885CTSL 2244/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 HCAR3 3355/4885CTSV 2467/4885CTSL 2244/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 HCAR3 3355/4885CTSV 2467/4885CTSL 2244/4885

“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.

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