SCHEMBL1120430

SCHEMBL1120430

Cc1cccc2c3c(n(CC(=O)O)c12)C(=O)N(C)CC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.53
RAB9A P51151 2/20 0.45
ATM Q13315 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 3/20 0.43
USP2 O75604 1/20 0.43
AKR1B1 P15121 3/20 0.43
AKR1B10 O60218 2/20 0.43
MAPT P10636 1/20 0.42
AKR1A1 P14550 1/20 0.42
GLA P06280 2/20 0.41
MEN1 O00255 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1120360 0.87 RAB9A (0.45) PTGDR2RAB9AATMGAAKDM4E
SCHEMBL1120427 0.87 FABP4 (0.49) RAB9AATMGAAKDM4EALDH1A1
SCHEMBL1120443 0.86 AKR1B1 (0.55) PTGDR2ATMGAAKDM4EALDH1A1
SCHEMBL1120429 0.86 RAB9A (0.43) PTGDR2RAB9AATMGAAKDM4E
SCHEMBL1120417 0.85 NPC1 (0.53) PTGDR2RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL1120373 0.83 AKR1B1 (0.39) PTGDR2RAB9AATMGAAKDM4E
SCHEMBL1120366 0.83 RAB9A (0.42) PTGDR2RAB9AATMGAAKDM4E
SCHEMBL1120464 0.83 PTGDR2 (0.39) PTGDR2RAB9AATMGAAKDM4E
SCHEMBL1120444 0.76 AKR1B1 (0.53) PTGDR2KDM4EL3MBTL1HSD17B10AKR1B1
SCHEMBL1120356 0.74 FABP4 (0.58) RAB9AATMGAAKDM4EALDH1A1

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 PTGDR2 165/4885RAB9A 1487/4885ATM 4116/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 165/4885RAB9A 1487/4885ATM 4116/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 165/4885RAB9A 1487/4885ATM 4116/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 165/4885RAB9A 1487/4885ATM 4116/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 PTGDR2 156/4885RAB9A 1346/4885ATM 3929/4885

“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.