SCHEMBL3235144

SCHEMBL3235144

NC(=O)CCn1c2c(c3ccccc31)CC=NC=C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 2/20 0.40
▸ FABP4 P15090 3/20 0.40
▸ FABP5 Q01469 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ LMNA P02545 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL3235510 0.89 FABP4 (0.54) KDM4EALDH1A1FABP4FABP5FABP3
SCHEMBL3237173 0.88 KDM4E (0.40) KDM4EALDH1A1MAPK1HDAC6HDAC1
SCHEMBL3229688 0.84 HTR2A (0.33) KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL3243025 0.81 KDM4E (0.55) KDM4EALDH1A1MAPK1MEN1GLA
SCHEMBL3229777 0.81 MYLK (0.39) KDM4EALDH1A1FABP4FABP5MAPK1
SCHEMBL3322057 0.73 KDM4E (1.00) KDM4EALDH1A1FABP4FABP5MAPK1
SCHEMBL4872138 0.70 KDM4E (0.45) KDM4EALDH1A1FABP4FABP5MAPK1
SCHEMBL30945714 0.66 MAOA (0.68) KDM4EALDH1A1HDAC6HDAC1LMNA
SCHEMBL15124804 0.66 MAOA (0.68) KDM4EALDH1A1HDAC6HDAC1LMNA
SCHEMBL11610622 0.66 ALDH1A1 (0.75) KDM4EALDH1A1FABP4FABP5MAPK1

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-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 — — US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 — — US disclosed
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-31 — — US disclosed
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 — — US disclosed
US-8569287-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2013-10-29 — — US disclosed
US-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 — — US 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 (4 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-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885ALDH1A1 1048/4885FABP4 4255/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885ALDH1A1 1048/4885FABP4 4255/4885
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885ALDH1A1 1048/4885FABP4 4255/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885ALDH1A1 1048/4885FABP4 4255/4885

“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.

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