SCHEMBL1120419

SCHEMBL1120419

CCCCN1CCc2c(n(Cc3ccccc3)c3ccc(C(=O)O)cc23)C1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.58
AKR1B10 O60218 9/20 0.58
AKR1A1 P14550 8/20 0.58
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 4/20 0.44
FABP4 P15090 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 1/20 0.42

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
SCHEMBL1120473 0.91 AKR1B1 (0.52) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD
SCHEMBL1120363 0.87 AKR1B1 (0.58) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD
SCHEMBL1120441 0.86 AKR1B1 (0.58) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD
SCHEMBL4295617 0.86 AKR1B1 (0.45) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD
SCHEMBL1120376 0.82 FABP4 (0.52) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL1120378 0.81 AKR1B1 (0.57) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD
SCHEMBL1120404 0.77 PDE5A (0.43) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD
SCHEMBL1120551 0.76 AKR1B1 (0.56) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD
SCHEMBL1120431 0.76 FABP4 (0.47) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD
SCHEMBL1120467 0.75 AKR1B1 (0.58) AKR1B1AKR1B10AKR1A1ALDH1A1HPGD

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.