SCHEMBL4071024

SCHEMBL4071024

COc1ccc2nccc(N3CCN(CCNC(=O)C(F)(F)F)CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.45
KCNH2 Q12809 3/20 0.44
HTR1A P08908 3/20 0.43
ADRA1A P35348 2/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 5/20 0.41
DRD3 P35462 2/20 0.41

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
SCHEMBL4070008 0.85 KCNH2 (0.44) CYP8B1KCNH2HTR1AADRA1ADRD2
SCHEMBL4064105 0.84 CYP8B1 (0.41) CYP8B1KCNH2
SCHEMBL4069756 0.83 KCNH2 (0.41) KCNH2HTR1ADRD2DRD3
SCHEMBL4068344 0.83 KCNH2 (0.42) KCNH2HTR1AADRA1ADRD2DRD3
SCHEMBL3167861 0.82 CYP8B1 (0.49) CYP8B1KCNH2
SCHEMBL4064039 0.81 NCF1 (0.53) HTR1AKDM4EUSP2ALDH1A1CYP1A2
SCHEMBL4068487 0.81 EHMT2 (0.41) CYP8B1KCNH2
SCHEMBL4069340 0.78 KCNH2 (0.42) KCNH2ALDH1A1
SCHEMBL3168285 0.78 CYP8B1 (0.49) CYP8B1KCNH2CYP2C19
SCHEMBL13527137 0.77 CYP8B1 (0.47) CYP8B1KCNH2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 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 (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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG CYP8B1 1990/4885KCNH2 3365/4885HTR1A 4286/4885

“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.