SCHEMBL13401808

SCHEMBL13401808

Cc1ccccc1NCC(=O)N/N=C/c1cc(N=O)cc(N=O)c1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.57
ALDH1A1 P00352 9/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
GAA P10253 1/20 0.57
GRK2 P25098 1/20 0.53
LMNA P02545 6/20 0.53
POLB P06746 2/20 0.53
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 4/20 0.50
HTT P42858 3/20 0.50
CFTR P13569 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 1/20 0.45
THRB P10828 1/20 0.42

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
SCHEMBL14959214 0.91 MAPT (0.59) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19334398 0.85 MAPT (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12648536 0.82 CFTR (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14082236 0.81 MAPT (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19334390 0.77 MEN1 (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13401793 0.76 MEN1 (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16211082 0.76 KDM4E (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16211083 0.76 KDM4E (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13401806 0.74 CFTR (0.59) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL14496376 0.72 ROCK2 (0.74) MAPTMEN1KMT2ASMN1; SMN2GAA

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 8 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-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 MAPT 3367/4885ALDH1A1 2436/4885MEN1 2792/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 MAPT 3367/4885ALDH1A1 2436/4885MEN1 2792/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 MAPT 3367/4885ALDH1A1 2436/4885MEN1 2792/4885

“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.