SCHEMBL6079938

SCHEMBL6079938

COC(=O)c1cc(OCc2ccccc2)c2cc(Br)cc(C#N)c2n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 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
SCHEMBL6592622 0.90 XDH (0.51) XDH
SCHEMBL6079485 0.86 XDH (0.42) XDHALDH1A1KDM4EHPGDCRHBP
SCHEMBL6079319 0.81 APP (0.45) ALDH1A1NOTUM
SCHEMBL17769171 0.80 LMNA (0.50) ALDH1A1HPGDNOTUM
SCHEMBL6080510 0.79 LMNA (0.47) ALDH1A1HPGDNOTUM
SCHEMBL6079903 0.79 ALDH1A1 (0.44) ALDH1A1HPGDTDP1NOTUM
SCHEMBL6080651 0.78 PTGER1 (0.42) TDP1
SCHEMBL6081240 0.77 LMNA (0.47) ALDH1A1KDM4EHPGDNOTUM
SCHEMBL6080128 0.77 GAA (0.39) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL6080214 0.77 APP (0.43) ALDH1A1HPGD

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
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL XDH 128/4885ALDH1A1 2726/4885KDM4E 1006/4885

“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.