SCHEMBL14944935

SCHEMBL14944935

CN1CCc2c(n(CC(O)(NC(=O)c3ccc(F)cc3)C3CCC3)c3ccc(Cl)cc23)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.49
HDAC6 Q9UBN7 12/20 0.49
HDAC8 Q9BY41 6/20 0.43
HDAC3 O15379 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
NCOR2 Q9Y618 2/20 0.43
HTR5A P47898 1/20 0.37
HTR6 P50406 2/20 0.37
BAZ2B Q9UIF8 4/20 0.37
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
HDAC11 Q96DB2 2/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL12877314 0.94 HDAC6 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL12820248 0.84 HDAC1 (0.41) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL6921380 0.80 HTR6 (0.36) HDAC1HDAC6HTR6
SCHEMBL1120477 0.78 HDAC1 (0.45) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL13293713 0.78 HDAC1 (0.42) HDAC1HDAC6HTR5AHTR6BAZ2B
Hydrochloric Acid SCHEMBL1120519 0.78 HDAC1 (0.44) HDAC1HDAC6HTR5AHTR6BAZ2B
SCHEMBL170011 0.77 HTR6 (0.49) HDAC1HDAC6HTR5AHTR6HRH1
SCHEMBL12819815 0.77 HDAC1 (0.52) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1120692 0.75 BAZ2B (0.50) HDAC1HDAC6HTR6BAZ2B
SCHEMBL13293472 0.74 HDAC1 (0.43) HDAC1HDAC6HTR5AHTR6BAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-05-30 US disclosed
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-05-30 US disclosed
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-16 US disclosed
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-16 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 (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-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 HDAC1 4369/4885HDAC6 3579/4885HDAC8 3544/4885
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HDAC1 4373/4885HDAC6 3551/4885HDAC8 3599/4885

“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.