SCHEMBL3678780

SCHEMBL3678780

CC(=O)Nc1ccc(C2=C(Br)C(=O)C3CCCC23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NAMPT P43490 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 5/20 0.43
POLB P06746 1/20 0.42
DHODH Q02127 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL3679037 0.85 RAB9A (0.44) SMN1; SMN2HTTKDM4EALDH1A1MAPT
SCHEMBL3684902 0.77 ESR2 (0.36) GAA
SCHEMBL3676121 0.77 ESR2 (0.36) GAA
SCHEMBL13229470 0.76 HPGD (0.45) SMN1; SMN2HTTL3MBTL1KDM4EALDH1A1
SCHEMBL3684807 0.75 PARP10 (0.43) HPGDCA12CA1CA2CA9
SCHEMBL3685298 0.74 HDAC1 (0.35) SMN1; SMN2ALDH1A1MAPTHPGDNPC1
SCHEMBL3684711 0.71 KMT2A (0.48) POLBALDH1A1MAPTHPGDMEN1
SCHEMBL3688360 0.70 EP300 (0.36) SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR
SCHEMBL3818831 0.69 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1NAMPTKDM4E
SCHEMBL9339755 0.68 SMN1; SMN2 (0.79) SMN1; SMN2HTTL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US claimed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP claimed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO claimed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 SMN1; SMN2 3722/4885HTT 3882/4885L3MBTL1 2186/4885

“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.