SCHEMBL13401702

SCHEMBL13401702

O=C(O)c1ccccc1/C=N/n1cnnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
HSD17B10 Q99714 2/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
GAA P10253 2/20 0.50
GLO1 Q04760 1/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
AMY1A P0DUB6 2/20 0.49
MAPK1 P28482 2/20 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
SCHEMBL3669949 0.76 AMY1A (0.65) LMNAHSD17B10TSHRALDH1A1KDM4E
SCHEMBL3669947 0.76 AMY1A (0.65) LMNAHSD17B10TSHRALDH1A1KDM4E
SCHEMBL5076859 0.75 CYP1A2 (0.69) LMNAALDH1A1KDM4EKMT2AHPGD
SCHEMBL11882466 0.75 CYP1A2 (0.69) LMNAALDH1A1KDM4EKMT2AHPGD
SCHEMBL16670882 0.73 CYP1A2 (0.57) LMNATSHRALDH1A1KDM4EKMT2A
SCHEMBL11497681 0.73 CYP1A2 (0.57) LMNATSHRALDH1A1KDM4EKMT2A
SCHEMBL2494933 0.71 LMNA (0.79) LMNATSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL11410869 0.70 CYP1A2 (0.54) LMNATSHRALDH1A1KDM4EKMT2A
SCHEMBL11415296 0.70 CYP1A2 (0.54) LMNATSHRALDH1A1KDM4EKMT2A
SCHEMBL70202 0.68 ALDH1A1 (0.62) LMNAHSD17B10ALDH1A1KDM4EHPGD

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 LMNA 785/4885HSD17B10 1610/4885TSHR 4461/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 LMNA 785/4885HSD17B10 1610/4885TSHR 4461/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 LMNA 785/4885HSD17B10 1610/4885TSHR 4461/4885

“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.