SCHEMBL14675271

SCHEMBL14675271

CCCc1cc(Br)c(N)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.45
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
BCAT2 O15382 1/20 0.31
GAA P10253 2/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL21633076 0.83 ADRB2 (0.46) ADRB2MAPTGAACA2
SCHEMBL11093715 0.82 ADRB2 (0.46) ADRB2MAPTALDH1A1KDM4ENPSR1
SCHEMBL7871857 0.81 MAPT (0.46) MAPTALDH1A1KDM4EGAACA2
SCHEMBL14675666 0.81 KDM4E (0.31) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL21666326 0.80 ADRB2 (0.39) ADRB2
SCHEMBL2656380 0.79 CYP1A2 (0.31) ALDH1A1KDM4ENPSR1GAAHPGD
SCHEMBL14675556 0.79 XDH (0.45) ADRB2MAPTALDH1A1KDM4EMEN1
SCHEMBL21633302 0.76 ADRB2 (0.36) ADRB2ALDH1A1KDM4ECA2
SCHEMBL29509959 0.76 ADRB2 (0.36) ADRB2ALDH1A1KDM4ECA2
SCHEMBL14685523 0.76 SKP2 (0.36) ADRB2MAPTHSD17B10GAACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739609-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2019-07-17 EP disclosed
EP-2739609-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2019-07-17 EP disclosed
US-20170128434-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2017-05-11 US disclosed
US-20170128434-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2017-05-11 US disclosed
US-20170128434-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2017-05-11 US disclosed
US-9586891-B2 Estrogen receptor ligands KARO PHARMA AB (SE) 2017-03-07 US disclosed
US-9586891-B2 Estrogen receptor ligands KARO PHARMA AB (SE) 2017-03-07 US disclosed
US-9586891-B2 Estrogen receptor ligands KARO PHARMA AB (SE) 2017-03-07 US disclosed
US-20140323518-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2014-10-30 US disclosed
US-20140323518-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2014-10-30 US disclosed
US-20140323518-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2014-10-30 US disclosed
EP-2739609-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2014-06-11 EP disclosed
WO-2013017654-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2013-02-07 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 (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-20170128434-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 ADRB2 1070/4885MAPT 4342/4885ALDH1A1 1517/4885
US-20140323518-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 ADRB2 1070/4885MAPT 4342/4885ALDH1A1 1517/4885

“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.