SCHEMBL13401485

SCHEMBL13401485

O=C(O)CSc1cc(Cl)c2nonc2c1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIG1 P18858 1/20 1.00
▸ MAPT P10636 8/20 0.53
▸ TLR9 Q9NR96 5/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ HTT P42858 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ MEN1 O00255 9/20 0.50
▸ KMT2A Q03164 9/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ GPR55 Q9Y2T6 1/20 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
SCHEMBL17232450 0.88 LIG1 (0.79) LIG1MAPTTLR9NPC1ALDH1A1
SCHEMBL5708771 0.74 NPC1 (0.73) LIG1MAPTTLR9NPC1ALDH1A1
SCHEMBL13997681 0.72 GSTP1 (0.66) —
SCHEMBL5708833 0.70 NPC1 (1.00) LIG1MAPTTLR9NPC1ALDH1A1
SCHEMBL6391137 0.68 MAPT (0.71) LIG1MAPTTLR9NPC1ALDH1A1
SCHEMBL13401763 0.68 MAPT (0.65) MAPTTLR9NPC1ALDH1A1RAB9A
SCHEMBL300103 0.67 GAA (0.59) LIG1MAPTTLR9NPC1ALDH1A1
SCHEMBL5506194 0.65 LIG1 (0.47) LIG1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13401768 0.65 MEN1 (1.00) LIG1MAPTTLR9NPC1ALDH1A1
SCHEMBL3707610 0.65 MEN1 (0.61) LIG1MAPTTLR9NPC1ALDH1A1

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 15 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
US-20080311150-A1 Novel sequences encoding hepatitis C virus glycoproteins DUMONCEAUX JULIE 2008-12-18 — — US disclosed
US-20080311150-A1 Novel sequences encoding hepatitis C virus glycoproteins DUMONCEAUX JULIE 2008-12-18 — — US disclosed
US-7361503-B2 Sequences encoding hepatitis C virus glycoproteins ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-04-22 — — 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 (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-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 LIG1 1/4885MAPT 3367/4885TLR9 3303/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 LIG1 1/4885MAPT 3367/4885TLR9 3303/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 LIG1 1/4885MAPT 3367/4885TLR9 3303/4885
US-20080311150-A1 Novel sequences encoding hepatitis C virus glycoproteins HAVCR2, EEA1, SELPLG LIG1 3951/4885MAPT 4832/4885TLR9 2286/4885

“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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