SCHEMBL3048575

SCHEMBL3048575

Nc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.73
▸ ESR2 Q92731 1/20 0.73
▸ CYP1B1 Q16678 2/20 0.70
▸ MAPT P10636 4/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ MAOB P27338 2/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ HTT P42858 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ MAOA P21397 1/20 0.65
▸ USP2 O75604 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPK1 P28482 1/20 0.60

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
SCHEMBL3056506 1.00 ESR1 (0.73) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL3056503 1.00 ESR1 (0.73) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL3048572 1.00 ESR1 (0.73) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL1659833 0.91 ESR1 (0.86) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL4970901 0.91 CYP1B1 (0.82) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL4970910 0.91 CYP1B1 (0.82) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL3003461 0.91 CYP1B1 (0.82) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL1659832 0.91 ESR1 (0.86) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL3003462 0.91 CYP1B1 (0.82) ESR1ESR2CYP1B1MAPTMEN1
SCHEMBL16810359 0.86 ESR1 (0.73) ESR1ESR2CYP1B1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192717-B2 Flavone derivative, chalcone derivative, styrylchromone derivative, or a coumarin derivative with high binding specificity to an amyloid beta protein, high permeability to a blood-brain barrier, and ability to rapidly disappear from sites other than cerebral senile plaque; also drug screening NAGASAKI UNIVERSITY (JP) 2012-06-05 — — US disclosed
US-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE NAGASAKI UNIVERSITY (JP) 2010-11-04 — — US disclosed
EP-2030635-A1 COMPOSITION FOR DIAGNOSING AMYLOID-RELATED DISEASE Nagasaki University (JP) 2009-03-04 — — EP disclosed
US-20080131367-A1 Composition For Diagnosing Amyloid-Related Diseases Mori, Hiroshi (JP) 2008-06-05 — — US disclosed
EP-1815872-A1 COMPOSITION FOR AMYLOID-ASSOCIATED DISEASE DIAGNOSIS Nagasaki University (JP) 2007-08-08 — — 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-20080131367-A1 Composition For Diagnosing Amyloid-Related Diseases APP, APBA1, FABP7 ESR1 3158/4885ESR2 2805/4885CYP1B1 1467/4885
US-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE APP, FABP7, APBA1 ESR1 4344/4885ESR2 1610/4885CYP1B1 3009/4885

“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.

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