SCHEMBL6984784

SCHEMBL6984784

O=Cc1ccc(OCCCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 5/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
CYP19A1 P11511 2/20 0.46
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4643645 0.85 CTSV (0.57) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7141110 0.82 FDPS (0.55) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL30467215 0.82 FDPS (0.55) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3863073 0.82 KDM4E (0.49) MAPTALDH1A1KDM4ENPC1RECQL
SCHEMBL13220915 0.81 MAPT (0.62) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7567675 0.81 ALDH1A1 (0.55) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL19331977 0.80 MAPT (0.57) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6979703 0.79 FDPS (0.53) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6979701 0.79 FDPS (0.53) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL14874596 0.79 MAPT (0.62) MAPTALDH1A1LMNAHPGDSMN1; SMN2

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
CN-1437587-A Benzoxazepinones and their use as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-20 CN 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 4824/4885ALDH1A1 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.