SCHEMBL5331383

SCHEMBL5331383

O=C1Cc2cc(-c3cccc([N+](=O)[O-])c3)ccc2N1.O=C1Cc2cc(Br)ccc2N1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.86
TDP2 O95551 4/20 0.63
CYP1A2 P05177 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GRIA1 P42261 1/20 0.48
CACNG8 Q8WXS5 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
KIF11 P52732 1/20 0.46
CMA1 P23946 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
SCHEMBL3523425 0.93 PGR (1.00) PGRTDP2CYP1A2CYP11B1CYP11B2
SCHEMBL7715803 0.83 PGR (0.62) PGRTDP2CYP1A2CYP11B1CYP11B2
SCHEMBL2299377 0.78 PGR (0.56) PGRTDP2MEN1KMT2ACCNB2
SCHEMBL18010836 0.78 TDP2 (1.00) PGRTDP2
SCHEMBL19954 0.77 PGR (0.71) PGRTDP2MEN1KMT2APDE3B
SCHEMBL6431 0.77 AHR (0.72) PGRTDP2CYP1A2CYP11B1CYP11B2
SCHEMBL18010848 0.75 TDP2 (1.00) PGRTDP2
SCHEMBL3132725 0.74 PGR (0.73) PGRTDP2CYP1A2CYP11B1CYP11B2
SCHEMBL3574875 0.73 TDP2 (0.74) PGRTDP2MEN1KMT2AKIF11
SCHEMBL9292967 0.73 TSHR (0.59) PGRMEN1KMT2AMMP13

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
US-7253203-B2 Indoline derivatives WYETH (US) 2007-08-07 US disclosed
US-20060160882-A1 Indoline derivatives WYETH (US) 2006-07-20 US disclosed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 EP disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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-20060160882-A1 Indoline derivatives PGR, GNRHR, PRLHR PGR 1/4885TDP2 2911/4885CYP1A2 192/4885

“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.