SCHEMBL13401446

SCHEMBL13401446

CC(=O)NCCNC(O)(O)c1cccc2nsnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PPARG P37231 1/20 0.37

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
SCHEMBL19334365 0.72 ALDH1A1 (0.67) ALDH1A1KMT2ASMN1; SMN2GAAPKM
SCHEMBL3439599 0.66 MAPT (0.57) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL15881215 0.66 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL21895251 0.64 KDM4E (0.48) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25400526 0.61 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL17040325 0.61 ATM (0.47) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL14559557 0.61 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL13401479 0.61 PTPRC (0.48) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL25399680 0.61 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25397933 0.60 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AHSD17B10KDM4E

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 ALDH1A1 2436/4885MEN1 2792/4885KMT2A 1608/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 ALDH1A1 2436/4885MEN1 2792/4885KMT2A 1608/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 ALDH1A1 2436/4885MEN1 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.

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