SCHEMBL1844965

SCHEMBL1844965

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
PRKCA P17252 3/20 0.45
HRAS P01112 6/20 0.44
ESR1 P03372 6/20 0.44
ESR2 Q92731 6/20 0.44
TOP1 P11387 2/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
EP300 Q09472 1/20 0.39
NPC1 O15118 1/20 0.39
PARP1 P09874 1/20 0.38
NAMPT P43490 1/20 0.38
CYP1A2 P05177 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
SCHEMBL10693709 1.00 HDAC1 (0.51) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL10690267 1.00 HDAC1 (0.51) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL26643297 0.92 HDAC1 (0.50) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1842219 0.92 HDAC1 (0.48) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1844640 0.92 TMEM97 (0.46) HDAC1HDAC2HDAC8KDM4EPOLB
SCHEMBL1843769 0.91 HDAC1 (0.47) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1841707 0.91 HDAC1 (0.49) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL2073218 0.91 HDAC1 (0.63) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1842154 0.91 HDAC1 (0.48) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL26374814 0.90 HRAS (0.47) HDAC1HDAC2HDAC8PRKCAHRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313546-A1 NUCLEIC ACID BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2025-10-09 US disclosed
EP-4522588-A1 NUCLEIC ACID BINDERS University of Strathclyde (GB) 2025-03-19 EP disclosed
WO-2023218194-A1 NUCLEIC ACID BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2023-11-16 WO disclosed
EP-2066627-B1 NOVEL MINOR GROOVE BINDERS UNIV STRATHCLYDE (GB) 2013-10-23 EP disclosed
US-8012967-B2 Minor groove binders UNIVERSITY OF STRATHCLYDE (GB) 2011-09-06 US disclosed
EP-1467969-B1 DNA MINOR GROOVE BINDING COMPOUNDS UNIV STRATHCLYDE (GB) 2011-05-18 EP disclosed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US disclosed
US-20100016311-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2010-01-21 US disclosed
EP-2066627-A1 NOVEL MINOR GROOVE BINDERS The University of Strathclyde (GB) 2009-06-10 EP disclosed
WO-2008038018-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2008-04-03 WO disclosed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 US disclosed
EP-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 EP disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
US-4766142-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1988-08-23 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-20100016311-A1 NOVEL MINOR GROOVE BINDERS TOP2B, DNA2, CTCF HDAC1 95/4885HDAC2 345/4885HDAC8 642/4885
US-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM HDAC1 356/4885HDAC2 1194/4885HDAC8 385/4885
US-20250313546-A1 NUCLEIC ACID BINDERS ZFR, NSUN3, POLI HDAC1 1101/4885HDAC2 1775/4885HDAC8 1005/4885

“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.