SCHEMBL1120546

SCHEMBL1120546

CN1CCc2c(n(CC(=O)O)c3cccc(Cl)c23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.45
AKR1B1 P15121 3/20 0.45
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
AKR1B10 O60218 2/20 0.43
AKR1A1 P14550 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
CYP2C9 P11712 2/20 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
SCHEMBL1120677 0.87 KDM4E (0.45) PTGDR2HDAC6HDAC1HDAC3HDAC2
SCHEMBL4302312 0.85 KDM4E (0.44) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL4295834 0.81 ALDH1A1 (0.44) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL13944387 0.80 KDM4E (0.65) PTGDR2HDAC6HDAC1HDAC3HDAC2
SCHEMBL1120415 0.76 BAZ2B (0.65) PTGDR2AKR1B1HDAC6HDAC1HDAC3
SCHEMBL1120538 0.76 BAZ2B (0.54) PTGDR2AKR1B1HDAC6HDAC1HDAC3
SCHEMBL1120577 0.74 KDM4E (0.48) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL4309240 0.73 ALDH1A1 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL13696057 0.72 HTR6 (0.60) KDM4EADRA2ACYP2D6ADRA1A
SCHEMBL1120515 0.72 PTGDR2 (0.60) PTGDR2AKR1B1HDAC6HDAC1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 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 (5 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 165/4885AKR1B1 1678/4885HDAC6 3551/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 165/4885AKR1B1 1678/4885HDAC6 3551/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 165/4885AKR1B1 1678/4885HDAC6 3551/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 165/4885AKR1B1 1678/4885HDAC6 3551/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 PTGDR2 156/4885AKR1B1 1481/4885HDAC6 3569/4885

“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.