SCHEMBL13401479

SCHEMBL13401479

CC(=O)NCCNC(O)(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.45
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GLA P06280 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ DDX3X O00571 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL3066347 0.77 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL8298069 0.76 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL27941581 0.74 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1LMNAPOLBMAPT
SCHEMBL28807980 0.72 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1HPGDRAB9APOLB
SCHEMBL6302889 0.71 PTPRC (0.69) PTPRCSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL2633543 0.71 PTPRC (0.69) PTPRCSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL951041 0.71 PTPN1 (0.61) SMN1; SMN2RECQLALDH1A1POLBMAPT
SCHEMBL30791550 0.71 PTPN1 (0.61) SMN1; SMN2RECQLALDH1A1POLBMAPT
SCHEMBL9734076 0.70 PTPRC (0.63) PTPRCSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL1644964 0.70 PTPRC (0.59) PTPRCSMN1; SMN2ALDH1A1HPGDLMNA

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 6 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-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-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 PTPRC 1923/4885SMN1; SMN2 3912/4885RECQL 99/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 PTPRC 1923/4885SMN1; SMN2 3912/4885RECQL 99/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 PTPRC 1923/4885SMN1; SMN2 3912/4885RECQL 99/4885

“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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