SCHEMBL1120406

SCHEMBL1120406

CCCCN1CCc2c(n(CC(=O)O)c3ccc(OC)cc23)C1=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.61
AKR1B10 O60218 9/20 0.61
AKR1A1 P14550 7/20 0.61
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
PDE5A O76074 2/20 0.46
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PLA2G2A P14555 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PGR P06401 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
SCHEMBL1120551 0.87 AKR1B1 (0.56) AKR1B1AKR1B10AKR1A1KDM4EHSD17B10
SCHEMBL1120467 0.86 AKR1B1 (0.58) AKR1B1AKR1B10AKR1A1KDM4EHSD17B10
SCHEMBL1120363 0.86 AKR1B1 (0.58) AKR1B1AKR1B10AKR1A1KDM4EHSD17B10
SCHEMBL1120449 0.86 AKR1B1 (0.71) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL1120374 0.86 AKR1B1 (0.62) AKR1B1AKR1B10AKR1A1KDM4EHSD17B10
SCHEMBL1120506 0.84 AKR1B1 (0.53) AKR1B1AKR1B10AKR1A1KDM4EHSD17B10
SCHEMBL1120359 0.83 AKR1B1 (0.52) AKR1B1AKR1B10AKR1A1KDM4EHSD17B10
SCHEMBL1120582 0.80 AKR1B1 (0.63) AKR1B1AKR1B10AKR1A1KDM4EPTGDR2
SCHEMBL1120371 0.78 AKR1B1 (0.42) AKR1B1AKR1B10AKR1A1KDM4EHSD17B10
SCHEMBL3336309 0.76 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1PTGDR2PLA2G2A

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 AKR1B1 1678/4885AKR1B10 2570/4885AKR1A1 2547/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885AKR1B10 2570/4885AKR1A1 2547/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885AKR1B10 2570/4885AKR1A1 2547/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885AKR1B10 2570/4885AKR1A1 2547/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 AKR1B1 1481/4885AKR1B10 2349/4885AKR1A1 2369/4885

“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.