SCHEMBL1120577

SCHEMBL1120577

CCOC(=O)Cn1c2c(c3c(C)cccc31)CCN(C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 4/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4302312 0.89 KDM4E (0.44) KDM4ELMNAALDH1A1TDP1KMT2A
SCHEMBL1120677 0.86 KDM4E (0.45) KDM4EKMT2AMEN1HDAC1HDAC6
SCHEMBL4309240 0.81 ALDH1A1 (0.45) KDM4ELMNAALDH1A1L3MBTL1TSHR
SCHEMBL1120474 0.78 HSD17B10 (0.57) KDM4ELMNAHDAC1HDAC6HSD17B10
SCHEMBL14067778 0.77 KDM4E (0.61) KDM4ELMNAALDH1A1TSHRHDAC1
SCHEMBL1120514 0.76 ALDH1A1 (0.43) KDM4ELMNAALDH1A1TDP1KMT2A
SCHEMBL1120525 0.76 BAZ2B (0.49) KDM4ELMNAALDH1A1TDP1HDAC1
SCHEMBL1120546 0.74 PTGDR2 (0.45) KDM4EKMT2AMEN1HDAC1HDAC6
SCHEMBL3318900 0.71 HTR6 (0.60) HDAC1HDAC6HSD17B10
SCHEMBL1002965 0.71 HDAC6 (0.71) KDM4EHDAC1HDAC6HDAC3HDAC2

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 KDM4E 1637/4885LMNA 4568/4885ALDH1A1 1514/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885LMNA 4568/4885ALDH1A1 1514/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885LMNA 4568/4885ALDH1A1 1514/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885LMNA 4568/4885ALDH1A1 1514/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KDM4E 1731/4885LMNA 4622/4885ALDH1A1 1607/4885

“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.