SCHEMBL13436799

SCHEMBL13436799

CC(=O)OCCNc1cc(Cl)c2nonc2c1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.70
LMNA P02545 7/20 0.70
POLB P06746 5/20 0.70
MEN1 O00255 12/20 0.62
KMT2A Q03164 12/20 0.62
ALDH1A1 P00352 9/20 0.62
HPGD P15428 8/20 0.62
NPSR1 Q6W5P4 5/20 0.62
MITF O75030 3/20 0.62
XBP1 P17861 1/20 0.62
BLM P54132 1/20 0.62
PKM P14618 3/20 0.61
RECQL P46063 2/20 0.61
KDM4E B2RXH2 1/20 0.61
APEX1 P27695 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTT P42858 6/20 0.59
TLR9 Q9NR96 5/20 0.59
OPRK1 P41145 4/20 0.59
NPC1 O15118 4/20 0.59

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
SCHEMBL17232452 0.90 MAPT (0.57) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL13436906 0.84 MAPT (0.59) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL14959208 0.84 MAPT (0.69) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL13401763 0.82 MAPT (0.65) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL5281834 0.78 MAPT (0.74) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL5281823 0.77 MAPT (0.73) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL5283971 0.76 MAPT (0.89) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL6391137 0.76 MAPT (0.71) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL8156930 0.74 MAPT (0.71) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL17232454 0.74 HPGD (0.58) MAPTLMNAPOLBMEN1KMT2A

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 5 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-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-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 (2 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 MAPT 3367/4885LMNA 785/4885POLB 17/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 MAPT 3367/4885LMNA 785/4885POLB 17/4885

“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.