SCHEMBL11146813

SCHEMBL11146813

Nn1c(S)nnc1-n1cccn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ ADORA2A P29274 8/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.30

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
SCHEMBL28661523 0.79 TDO2 (0.40) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL11147896 0.70 KDM4E (0.34) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL11146605 0.70 KDM4E (0.34) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL12147160 0.64 ALDH1A1 (0.37) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL21379803 0.64 KDM4E (0.37) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL17476686 0.64 KDM4E (0.48) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL12320460 0.63 LPO (0.40) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL11915952 0.61 ALDH1A1 (0.34) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL12145803 0.61 POLB (0.36) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL11919086 0.61 ALDH1A1 (0.37) KDM4EALDH1A1LMNAMEN1GAA

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 17 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
US-4404376-A ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1983-09-13 — — US disclosed
US-4404374-A ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1983-09-13 — — US disclosed
US-4404375-A ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1983-09-13 — — US disclosed
US-4336375-A Cephalosporanic acid derivatives AMERICAN CYANAMID COMPANY (US) 1982-06-22 — — US disclosed
US-4334062-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1982-06-08 — — 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 KDM4E 1696/4885ALDH1A1 2436/4885LMNA 785/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 KDM4E 1696/4885ALDH1A1 2436/4885LMNA 785/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 KDM4E 1696/4885ALDH1A1 2436/4885LMNA 785/4885

“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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