SCHEMBL1120366

SCHEMBL1120366

CN1CCc2c(n(CC(=O)O)c3c([N+](=O)[O-])cccc23)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
ATM Q13315 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
AKR1B1 P15121 8/20 0.41
AKR1B10 O60218 7/20 0.41
AKR1A1 P14550 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 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
SCHEMBL1120365 0.87 ALDH1A1 (0.45) RAB9AGAAALDH1A1KDM4EAKR1B1
SCHEMBL1120442 0.86 AKR1B1 (0.51) ATMALDH1A1KDM4EAKR1B1AKR1B10
SCHEMBL1120430 0.83 PTGDR2 (0.53) RAB9AATMGAAALDH1A1KDM4E
SCHEMBL1120427 0.82 FABP4 (0.49) RAB9AATMGAAALDH1A1KDM4E
SCHEMBL1120360 0.82 RAB9A (0.45) RAB9AATMGAAALDH1A1KDM4E
SCHEMBL1120354 0.77 AKR1B1 (0.49) RAB9AATMGAAALDH1A1KDM4E
SCHEMBL1120429 0.77 RAB9A (0.43) RAB9AATMGAAALDH1A1KDM4E
SCHEMBL1120373 0.72 AKR1B1 (0.39) RAB9AATMGAAALDH1A1KDM4E
SCHEMBL1120417 0.72 NPC1 (0.53) RAB9AALDH1A1KDM4EAKR1B1AKR1B10
SCHEMBL1120464 0.71 PTGDR2 (0.39) RAB9AATMGAAALDH1A1KDM4E

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 RAB9A 1487/4885ATM 4116/4885GAA 3526/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C RAB9A 1487/4885ATM 4116/4885GAA 3526/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C RAB9A 1487/4885ATM 4116/4885GAA 3526/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C RAB9A 1487/4885ATM 4116/4885GAA 3526/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 RAB9A 1346/4885ATM 3929/4885GAA 3484/4885

“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.