SCHEMBL1841982

SCHEMBL1841982

Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPT P10636 4/20 0.53
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RAD52 P43351 1/20 0.44
MAOB P27338 1/20 0.44
SLC29A1 Q99808 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APOBEC3G Q9HC16 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMYD2 Q9NRG4 1/20 0.43

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
SCHEMBL1842400 0.93 KMT2A (0.58) POLBMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL1844054 0.90 SMN1; SMN2 (0.62) POLBMAPTSMN1; SMN2LMNATSHR
SCHEMBL14441803 0.87 POLB (0.45) POLBMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL1847914 0.86 KMT2A (0.43) POLBMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL1844314 0.84 KMT2A (0.44) POLBMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL26374397 0.84 POLB (0.43) POLBMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL2402749 0.82 LMNA (0.61) POLBKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL1844640 0.81 TMEM97 (0.46) POLBMAPTKMT2AALDH1A1GAA
SCHEMBL14003290 0.80 ALDH1A1 (0.41) POLBMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL27781639 0.78 POLB (0.38) POLBMAPTLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 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 (1 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM POLB 4/4885MAPT 1908/4885KMT2A 4001/4885

“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.