SCHEMBL1120551

SCHEMBL1120551

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 13/20 0.56
HSD17B10 Q99714 3/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
AKR1B10 O60218 11/20 0.46
AKR1A1 P14550 8/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.46
PTGDR Q13258 1/20 0.44
PGR P06401 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
PDE5A O76074 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL1120363 0.89 AKR1B1 (0.58) AKR1B1HSD17B10NPC1ALDH1A1HPGD
SCHEMBL1120449 0.89 AKR1B1 (0.71) AKR1B1AKR1B10AKR1A1PTGDR2PTGDR
SCHEMBL1120467 0.89 AKR1B1 (0.58) AKR1B1HSD17B10NPC1ALDH1A1HPGD
SCHEMBL1120406 0.87 AKR1B1 (0.61) AKR1B1HSD17B10AKR1B10AKR1A1PTGDR2
SCHEMBL1120506 0.87 AKR1B1 (0.53) AKR1B1HSD17B10NPC1ALDH1A1HPGD
SCHEMBL1120359 0.85 AKR1B1 (0.52) AKR1B1HSD17B10NPC1ALDH1A1HPGD
SCHEMBL1120444 0.85 AKR1B1 (0.53) AKR1B1HSD17B10AKR1B10AKR1A1PTGDR2
SCHEMBL1120353 0.83 NPC1 (0.45) AKR1B1HSD17B10NPC1ALDH1A1HPGD
SCHEMBL1120420 0.79 NPC1 (0.43) AKR1B1HSD17B10NPC1ALDH1A1HPGD
SCHEMBL1120417 0.79 NPC1 (0.53) AKR1B1HSD17B10NPC1ALDH1A1HPGD

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 1678/4885HSD17B10 2868/4885NPC1 3670/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885HSD17B10 2868/4885NPC1 3670/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885HSD17B10 2868/4885NPC1 3670/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885HSD17B10 2868/4885NPC1 3670/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 AKR1B1 1481/4885HSD17B10 2468/4885NPC1 3625/4885

“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.