SCHEMBL1120420

SCHEMBL1120420

CCCCN1CCc2c(n(CC(=O)O)c3c(C)c(C)ccc23)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 1/20 0.43
AKR1B1 P15121 8/20 0.42
PDE5A O76074 3/20 0.39
AKR1B10 O60218 7/20 0.38
AKR1A1 P14550 6/20 0.38
SYK P43405 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
GRM5 P41594 1/20 0.36
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36

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
SCHEMBL1120417 0.88 NPC1 (0.53) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL1120352 0.85 ALDH1A1 (0.42) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL1120429 0.85 RAB9A (0.43) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL1120353 0.83 NPC1 (0.45) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL1120425 0.82 FABP4 (0.49) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL1120344 0.82 NPC1 (0.47) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL1120365 0.80 ALDH1A1 (0.45) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL1120346 0.80 AKR1B1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL1120551 0.79 AKR1B1 (0.56) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL1120467 0.76 AKR1B1 (0.58) NPC1ALDH1A1RAB9AKDM4EHPGD

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 NPC1 3670/4885ALDH1A1 1514/4885RAB9A 1487/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NPC1 3670/4885ALDH1A1 1514/4885RAB9A 1487/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NPC1 3670/4885ALDH1A1 1514/4885RAB9A 1487/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NPC1 3670/4885ALDH1A1 1514/4885RAB9A 1487/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 NPC1 3625/4885ALDH1A1 1607/4885RAB9A 1346/4885

“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.