SCHEMBL6987550

SCHEMBL6987550

O=Cc1cc([N+](=O)[O-])ccc1OCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.59
CYP11B1 P15538 6/20 0.59
CYP11B2 P19099 6/20 0.59
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
TAAR1 Q96RJ0 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL6926436 0.86 MAPT (0.62) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL1157681 0.82 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL9825468 0.81 MAPT (0.51) CYP19A1MAPTALDH1A1KMT2ACYP2D6
SCHEMBL28825735 0.81 MAPT (0.55) CYP19A1MAPTALDH1A1KMT2ACYP2D6
SCHEMBL31327257 0.81 MAPT (0.55) CYP19A1MAPTALDH1A1KMT2ACYP2D6
SCHEMBL7400011 0.80 MAPT (0.50) CYP19A1MAPTALDH1A1KMT2ACYP2D6
SCHEMBL9824820 0.79 MAPT (0.52) MAPTALDH1A1KMT2AMEN1CYP2D6
SCHEMBL215546 0.79 CYP19A1 (0.54) CYP19A1MAPTALDH1A1KMT2AMEN1
SCHEMBL824063 0.79 MAPT (0.52) MAPTALDH1A1KMT2AMEN1CYP2D6
SCHEMBL7148350 0.79 PTGES (0.53)

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 CYP19A1 44/4885CYP11B1 120/4885CYP11B2 256/4885

“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.