SCHEMBL620056

SCHEMBL620056

Cc1ccc2[nH]c3c(c2c1)CN(C(=S)Nc1ccc(F)cc1)CCC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
POLB P06746 2/20 0.65
TDP1 Q9NUW8 5/20 0.62
BAZ2B Q9UIF8 2/20 0.52
ALDH1A1 P00352 4/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PABPC1 P11940 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 2/20 0.48
KDR P35968 1/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL31117484 0.81 TDP1 (0.75) MAPTPOLBTDP1BAZ2BALDH1A1
SCHEMBL620055 0.78 BAZ2B (0.55) MAPTPOLBTDP1BAZ2BALDH1A1
SCHEMBL621736 0.78 BAZ2B (0.59) MAPTTDP1BAZ2BALDH1A1GAA
SCHEMBL31117441 0.76 TDP1 (0.74) MAPTPOLBTDP1BAZ2BALDH1A1
SCHEMBL31117589 0.74 TDP1 (0.65) MAPTPOLBTDP1BAZ2BALDH1A1
SCHEMBL620034 0.73 BAZ2B (0.86) MAPTBAZ2BALDH1A1GAAMEN1
SCHEMBL620615 0.72 LMNA (0.87) MAPTPOLBTDP1BAZ2BALDH1A1
SCHEMBL10154883 0.72 HRH1 (0.48) MAPTPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL10127681 0.72 L3MBTL1 (0.82) POLBBAZ2BALDH1A1GAAMAPK1
SCHEMBL620479 0.72 BAZ2B (0.63) MAPTTDP1BAZ2BALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 EP disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 EP disclosed
WO-2008024029-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-02-28 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC MAPT 4749/4885POLB 4666/4885TDP1 4285/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B MAPT 3757/4885POLB 4714/4885TDP1 4260/4885

“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.