SCHEMBL13401399

SCHEMBL13401399

O=C(O)Cc1coc(NC(=O)CSc2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ PKM P14618 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ALDH1A1 P00352 7/20 0.53
▸ TP53 P04637 1/20 0.53
▸ RAB9A P51151 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ APOBEC3A P31941 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ HPGD P15428 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPK10 P53779 1/20 0.47

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
SCHEMBL5717607 0.77 KMT2A (0.56) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL3431552 0.75 KMT2A (0.91) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL29987569 0.71 ALDH1A1 (0.69) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL437152 0.71 ALDH1A1 (0.69) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL12230242 0.69 KMT2A (0.69) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL14207708 0.69 KMT2A (0.69) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL3456222 0.69 HPGD (0.68) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL12230246 0.68 KMT2A (0.86) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL5717595 0.67 KMT2A (0.55) KMT2AMEN1PKMSMN1; SMN2POLB
SCHEMBL12297964 0.67 KDM4E (0.65) KMT2AMEN1PKMSMN1; SMN2POLB

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
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

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 KMT2A 1608/4885MEN1 2792/4885PKM 3329/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 KMT2A 1608/4885MEN1 2792/4885PKM 3329/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 KMT2A 1608/4885MEN1 2792/4885PKM 3329/4885

“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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