SCHEMBL7823738

SCHEMBL7823738

NCCC(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.66
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
CNR2 P34972 8/20 0.60
EPHX2 P34913 4/20 0.60
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
CASR P41180 1/20 0.54

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
SCHEMBL1321256 0.88 CNR1 (0.68) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL5468000 0.85 CNR1 (0.64) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL2427167 0.82 CNR1 (0.70) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL9274180 0.81 ASAH1 (0.63) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL1709277 0.81 MTNR1A (0.72) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL3642993 0.80 MTNR1A (0.68) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL2726416 0.80 MTNR1A (0.72) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL19334333 0.77 CNR1 (0.55) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL30853101 0.77 MTNR1A (0.64) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL663798 0.77 CNR1 (0.62) CNR1MTNR1AMTNR1BCNR2EPHX2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 EP disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 WO disclosed
US-4933325-A ANALGESICS, HYPOTENSIVE AGENTS G. D. SEARLE & CO. (US) 1990-06-12 US disclosed
US-4880829-A ANALGESICS, HYPOTENSIVE AGENTS G. D. SEARLE AND COMPANY (US) 1989-11-14 US disclosed
US-4847241-A ANALGESICS G. D. SEARLE & CO. (US) 1989-07-11 US disclosed
US-4822775-A ANALGESICS G. D. SEARLE & CO. (US) 1989-04-18 US disclosed
EP-0215297-A2 Substituted dipeptide amides G.D. Searle & Co. (US) 1987-03-25 EP 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 (2 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-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 CNR1 4759/4885MTNR1A 4338/4885MTNR1B 4374/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 CNR1 4759/4885MTNR1A 4338/4885MTNR1B 4374/4885

“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.