SCHEMBL6989418

SCHEMBL6989418

CCOC(=O)CCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 8/20 0.54
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 5/20 0.52
HTT P42858 2/20 0.52
AGTR1 P30556 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALOX5 P09917 1/20 0.50
GLO1 Q04760 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.47
CACNA1F O60840 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNA1S Q13698 2/20 0.46
CACNA1C Q13936 2/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL9680338 0.95 KMT2A (0.53) MAPTKDM4EKMT2AALDH1A1TDP1
SCHEMBL1205584 0.92 KMT2A (0.60) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL1108437 0.88 KMT2A (0.60) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL29179991 0.85 KMT2A (0.52) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL13332170 0.84 MAPT (0.57) MAPTKDM4EKMT2AALDH1A1TDP1
SCHEMBL2111020 0.83 KMT2A (0.65) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL7188600 0.83 MAPT (0.55) MAPTKDM4EKMT2AALDH1A1TDP1
SCHEMBL9695872 0.83 KMT2A (0.57) KMT2AALDH1A1MEN1HTTAGTR1
Hydrochloric Acid SCHEMBL6988461 0.82 MAPT (0.54) MAPTKDM4EKMT2AALDH1A1TDP1
Dinitrophenylene SCHEMBL27988648 0.82 MAPT (0.55) MAPTKDM4EKMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015189862-A1 CHIRAL AMINES, A PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 WO disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 MAPT 4824/4885KDM4E 1236/4885KMT2A 2350/4885

“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.