SCHEMBL8510039

SCHEMBL8510039

CC(O)CCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.46
CYP19A1 P11511 2/20 0.46
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH1 P35367 2/20 0.41
TYR P14679 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ABCB1 P08183 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10399076 0.88 HRH1 (0.47) LOXL2CYP19A1MMP12MMP13CYP1A2
SCHEMBL10399075 0.88 HRH1 (0.47) LOXL2CYP19A1MMP12MMP13CYP1A2
SCHEMBL3169969 0.82 LOXL2 (0.50) LOXL2CYP19A1MMP12MMP13CYP1A2
SCHEMBL11371055 0.81 CYP1A2 (0.50) LOXL2CYP19A1CYP1A2CYP3A4CYP2C9
SCHEMBL6996146 0.80 LOXL2 (0.50) LOXL2CYP19A1MMP12MMP13CYP1A2
SCHEMBL1677867 0.78 LOXL2 (0.52) LOXL2CYP19A1MMP12MMP13CYP1A2
SCHEMBL31223729 0.78 LOXL2 (0.52) LOXL2CYP19A1MMP12MMP13CYP1A2
SCHEMBL22229846 0.78 LOXL2 (0.52) LOXL2CYP19A1MMP12MMP13CYP1A2
SCHEMBL109557 0.77 TSHR (0.53) CYP1A2CYP3A4CYP2C19LMNAMAPK1
SCHEMBL2942774 0.77 TSHR (0.53) CYP1A2CYP3A4CYP2C19LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 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-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C LOXL2 2550/4885CYP19A1 3610/4885MMP12 3910/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C LOXL2 2550/4885CYP19A1 3610/4885MMP12 3910/4885

“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.