SCHEMBL1653202

SCHEMBL1653202

COc1ccc(-c2c(-c3c(C)nsc3C)n(C#N)c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
GRIK2 Q13002 1/20 0.38
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK14 Q16539 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1651727 0.87 NPC1 (0.32) MAPK14ALDH1A1NPC1RAB9AMAPT
SCHEMBL12777822 0.83 CYP1A2 (0.44) L3MBTL1GRIK2NPSR1HTTMAPK9
SCHEMBL1653145 0.80 BRD4 (0.48) L3MBTL1GRIK2ALDH1A1CYP1A2CYP2C9
SCHEMBL1652825 0.74 KDM4E (0.40) L3MBTL1GRIK2HTTNCOA1NCOA3
SCHEMBL1654665 0.67 MAP2 (0.37) L3MBTL1NPSR1RXFP1KDM4EALDH1A1
SCHEMBL30336533 0.67 ALDH1A1 (0.59) L3MBTL1NPSR1HTTSMN1; SMN2KDM4E
SCHEMBL28610662 0.67 ALDH1A1 (0.59) L3MBTL1NPSR1HTTSMN1; SMN2KDM4E
SCHEMBL1653307 0.67 MAPT (0.33) L3MBTL1NPSR1HTTSMN1; SMN2ALDH1A1
SCHEMBL1651655 0.67 BRD4 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1652576 0.66 PTPN1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486010-B1 ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2019-06-12 EP disclosed
EP-2486010-B1 ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2019-06-12 EP disclosed
US-8710243-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-04-29 US disclosed
EP-2486010-A2 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-15 EP disclosed
US-20120202861-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-09 US disclosed
US-20120202861-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-09 US disclosed
US-20120202861-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2012-08-09 US disclosed
WO-2011042473-A2 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 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-20120202861-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 L3MBTL1 2510/4885GRIK2 1058/4885NPSR1 57/4885

“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.