Sugi Predict

Sugi Predict / Compounds / SCHEMBL4845321

SCHEMBL4845321

SCHEMBL4845321

CCC1(CC)OC(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.57
▸ ALPL P05186 1/20 0.45
▸ AKR1B1 P15121 2/20 0.45
▸ CAPN9 O14815 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ ELOVL6 Q9H5J4 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL3874035 0.86 PGR (0.78) PGR
SCHEMBL4841848 0.82 PGR (0.62) PGRALPLAKR1B1CAPN9CASP3
SCHEMBL3380558 0.77 ALPL (0.47) PGRALPLAKR1B1CAPN9CASP3
SCHEMBL10960160 0.77 ELOVL6 (0.45) PGRELOVL6EGFR
SCHEMBL3873417 0.77 ELOVL6 (0.42) PGRELOVL6
SCHEMBL4120633 0.77 ELOVL6 (0.42) PGRALPLAKR1B1ALDH1A1ADAMTS5
SCHEMBL10531285 0.77 ELOVL6 (0.42) PGRELOVL6
SCHEMBL10530372 0.76 CYP1A2 (0.43) PGRCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL4507525 0.75 AKR1B1 (0.51) PGRALPLAKR1B1CAPN9CASP3
SCHEMBL10956566 0.74 PGR (0.50) PGRAKR1B1ALDH1A1ADAMTS5ELOVL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354915-B2 6-amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH (US) 2008-04-08 — — US disclosed
US-20070225281-A1 6-Amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH (US) 2007-09-27 — — US disclosed
US-7247625-B2 6-amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH (US) 2007-07-24 — — US disclosed
US-20050085470-A1 6-Amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH 2005-04-21 — — US disclosed
US-4831027-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1989-05-16 — — US disclosed
EP-0263352-A1 Imidazo-benzoxazinones, their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1988-04-13 — — EP 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 (2 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-20050085470-A1 6-Amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators PGR, FSHR, GPR6 PGR 1/4885ALPL 4570/4885AKR1B1 246/4885
US-20070225281-A1 6-Amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators PGR, FSHR, GPR6 PGR 1/4885ALPL 4570/4885AKR1B1 246/4885

“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.