SCHEMBL13401351

SCHEMBL13401351

O=C(O)CCC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.84
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
ALDH1A1 P00352 5/20 0.73
SMN1; SMN2 Q16637 2/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
MAPT P10636 3/20 0.67
POLB P06746 4/20 0.66
DDX3X O00571 1/20 0.65
HTT P42858 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
GAA P10253 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TRPV1 Q8NER1 1/20 0.60
LMNA P02545 1/20 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
SCHEMBL29431572 0.93 L3MBTL1 (0.74) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7825577 0.92 L3MBTL1 (1.00) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL32664264 0.87 L3MBTL1 (0.82) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL26496469 0.87 L3MBTL1 (0.82) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19334353 0.87 L3MBTL1 (0.64) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5141415 0.86 MEN1 (0.75) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11650607 0.86 L3MBTL1 (0.67) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4749088 0.85 L3MBTL1 (0.71) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL874113 0.85 MEN1 (0.73) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4749309 0.83 L3MBTL1 (0.76) L3MBTL1MEN1KMT2AALDH1A1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221406-A1 BLACK TRISAZO DYES, THEIR PREPARATION AND THEIR USE DFI CHEM GmbH (CH) 2017-09-27 EP 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-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
WO-2016078988-A1 BLACK TRISAZO DYES, THEIR PREPARATION AND THEIR USE DFI CHEM GMBH (CH) 2016-05-26 WO 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 L3MBTL1 379/4885MEN1 2792/4885KMT2A 1608/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 L3MBTL1 379/4885MEN1 2792/4885KMT2A 1608/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 L3MBTL1 379/4885MEN1 2792/4885KMT2A 1608/4885

“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.