SCHEMBL4963473

SCHEMBL4963473

Cc1nc2c(O)c(CCC(=O)c3ccc4ccccc4c3)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.37
HTR1A P08908 3/20 0.36
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN1 P18031 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
DGAT1 O75907 2/20 0.34

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
SCHEMBL4664618 0.90 KMT2A (0.35) ALDH1A1RAB9AHPGDPDK2PDK4
SCHEMBL5140297 0.88 POLB (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4964535 0.87 PDK1 (0.35) SMN1; SMN2ALDH1A1NPC1RAB9APDK2
SCHEMBL4963781 0.85 CTNNB1 (0.35) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL4965054 0.84 HCRTR1 (0.32) POLB
SCHEMBL4963749 0.84 GSK3B (0.35) SMN1; SMN2ALDH1A1RAB9AKDM4EPOLB
SCHEMBL5108006 0.84 CXCR3 (0.35) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4964361 0.82 IDO1 (0.38) SMN1; SMN2NPC1RAB9AMAPTHDAC1
SCHEMBL5107989 0.81 AOC3 (0.37) HTR1AKMT2AMAPTHDAC1HDAC8
SCHEMBL5107986 0.81 AOC3 (0.37) HTR1AKMT2AMAPTHDAC1HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 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 (1 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 SMN1; SMN2 3759/4885ALDH1A1 76/4885NPC1 1421/4885

“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.