SCHEMBL1077703

SCHEMBL1077703

COc1ccc(-n2c(-c3ccccc3)c(Br)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OXTR P30559 1/20 0.46
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRIK2 Q13002 1/20 0.45
GLA P06280 1/20 0.45
G6PD P11413 1/20 0.44
IL1R1 P14778 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL15085213 0.86 IL1R1 (0.57) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL15082790 0.85 IL1R1 (0.47) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL16656578 0.81 MGAM (0.41) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL443060 0.81 LMNA (0.57) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL12387069 0.81 ALDH1A1 (0.53) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL2146511 0.80 MAPT (0.54) MAPTLMNAALDH1A1HPGDMEN1
SCHEMBL15082779 0.79 IL1R1 (0.48) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL29415 0.79 MAPT (0.62) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL29539968 0.79 MAPT (0.62) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL2512529 0.78 MAPT (0.57) MAPTLMNAALDH1A1HPGDSMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
US-9012773-B2 Thiazole-based compound and uses thereof NEC CORPORATION (JP) 2015-04-21 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-20130167932-A1 INDOLE COMPOUND, AND PHOTOELECTRIC CONVERSION DYE USING SAME, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTOELECTROCHEMICAL CELL NEC CORPORATION (JP) 2013-07-04 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
EP-2346824-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-07-27 EP disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 EP disclosed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 WO disclosed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 WO disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 WO disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 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 (3 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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 MAPT 3853/4885LMNA 3473/4885ALDH1A1 1197/4885
US-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA MAPT 3960/4885LMNA 3927/4885ALDH1A1 1765/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA MAPT 3903/4885LMNA 3887/4885ALDH1A1 1909/4885

“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.