SCHEMBL6983854

SCHEMBL6983854

CCCOc1cc([N+](=O)[O-])cc2cc(C(=O)OC)oc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
CYP19A1 P11511 2/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EIF4A1 P60842 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TBXA2R P21731 1/20 0.36

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
SCHEMBL7157269 0.82 MAPT (0.47) MAPTALDH1A1LMNACYP19A1RAB9A
SCHEMBL6983789 0.80 LMNA (0.45) MAPTALDH1A1LMNARAB9AL3MBTL1
SCHEMBL6985505 0.80 MAPT (0.73) MAPTALDH1A1LMNARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL6986383 0.79 ALDH1A1 (0.40) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL28352404 0.79 LMNA (0.44) MAPTALDH1A1LMNARAB9AL3MBTL1
SCHEMBL2893781 0.75 PIM1 (0.62) MAPTALDH1A1LMNARAB9AL3MBTL1
SCHEMBL6979379 0.73 MAPT (0.55) MAPTRAB9AL3MBTL1NPC1MEN1
SCHEMBL27915784 0.72 MAPT (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6987618 0.72 MAPT (0.54) MAPTLMNARAB9AL3MBTL1NPC1
SCHEMBL6983248 0.71 MAPT (0.51) MAPTALDH1A1LMNARAB9AL3MBTL1

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
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 4824/4885ALDH1A1 1026/4885LMNA 2609/4885

“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.