SCHEMBL3235353

SCHEMBL3235353

CN1CCc2c([nH]c3ccc(Cl)cc23)CC1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.53
KIF11 P52732 2/20 0.52
BAZ2B Q9UIF8 2/20 0.50
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.44
NR1H2 P55055 8/20 0.43
NR1H3 Q13133 8/20 0.43
MCHR1 Q99705 1/20 0.43
HTR6 P50406 1/20 0.41

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
SCHEMBL3231659 0.78 BAZ2B (0.60) BAZ2BHTR6
SCHEMBL1120485 0.77 KDM4E (0.64) SIRT1BAZ2BHTR6
SCHEMBL1120637 0.75 KIF11 (0.61) SIRT1KIF11
SCHEMBL2186300 0.75 BAZ2B (0.50) SIRT1KIF11BAZ2BMCHR1HTR6
SCHEMBL26836994 0.73 DRD1 (0.56) KIF11
SCHEMBL3720921 0.72 MCHR1 (0.51) SIRT1KIF11BAZ2BMCHR1HTR6
SCHEMBL1867588 0.72 BAZ2B (0.81) SIRT1BAZ2BMAPT
SCHEMBL1120636 0.72 KIF11 (0.60) SIRT1KIF11MAPTTP53
SCHEMBL11682584 0.72 SIRT1 (0.77) SIRT1BAZ2BNR1H2NR1H3
SCHEMBL167328 0.71 L3MBTL1 (0.70) BAZ2BHTR6

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 6 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-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 (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-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 SIRT1 3401/4885KIF11 3281/4885BAZ2B 1409/4885
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 SIRT1 3401/4885KIF11 3281/4885BAZ2B 1409/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 SIRT1 3401/4885KIF11 3281/4885BAZ2B 1409/4885

“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.