SCHEMBL4298468

SCHEMBL4298468

O=C(O)c1ccc2c(c1)c1c(n2Cc2ccccc2)C(=O)NCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 6/20 0.54
AKR1B1 P15121 6/20 0.54
AKR1A1 P14550 5/20 0.54
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
FABP4 P15090 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PPARG P37231 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 1/20 0.42
PLA2G2A P14555 1/20 0.41
HCAR3 P49019 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
MAPK8 P45983 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL1120441 0.79 AKR1B1 (0.58) AKR1B10AKR1B1AKR1A1HPGDKDM4E
SCHEMBL4304570 0.79 ALDH1A1 (0.48) AKR1B10AKR1B1AKR1A1HPGDKDM4E
SCHEMBL1120378 0.78 AKR1B1 (0.57) AKR1B10AKR1B1AKR1A1HPGDKDM4E
SCHEMBL13141908 0.76 HDAC1 (0.64) AKR1B10AKR1B1AKR1A1FABP4HDAC1
SCHEMBL1120419 0.74 AKR1B1 (0.58) AKR1B10AKR1B1AKR1A1HPGDKDM4E
SCHEMBL16093881 0.73 ALDH1A1 (0.68) HPGDKDM4EALDH1A1FABP4HDAC1
SCHEMBL4144359 0.71 ADRA2A (0.69) ALDH1A1FABP4TSHRHDAC1HDAC6
SCHEMBL14895869 0.70 HDAC1 (0.57) AKR1B1FABP4HDAC1HDAC6
SCHEMBL27734727 0.70 PPARG (0.74) ALDH1A1PPARGTDP1
SCHEMBL14067859 0.69 HDAC1 (0.52) AKR1B10AKR1B1AKR1A1HPGDKDM4E

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 8 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
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US 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 AKR1B10 2570/4885AKR1B1 1678/4885AKR1A1 2547/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B10 2570/4885AKR1B1 1678/4885AKR1A1 2547/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B10 2570/4885AKR1B1 1678/4885AKR1A1 2547/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B10 2570/4885AKR1B1 1678/4885AKR1A1 2547/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 AKR1B10 2349/4885AKR1B1 1481/4885AKR1A1 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.