SCHEMBL6080128

SCHEMBL6080128

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 2/20 0.36
RECQL P46063 1/20 0.36
LCK P06239 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
NQO2 P16083 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 3/20 0.33
KMT2A Q03164 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL6080939 0.84 GPR35 (0.34) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL6080115 0.84 MAPT (0.40) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6079862 0.84 GAA (0.38) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6079182 0.82 GAA (0.37) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6079541 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL6079703 0.81 ALDH1A1 (0.40) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31726174 0.81 ALDH1A1 (0.40) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6080169 0.80 MAPT (0.41) GAAALDH1A1KDM4EMAPTCYP1A2
SCHEMBL6079733 0.80 NQO2 (0.43) GAAALDH1A1KDM4EMAPTCYP1A2
SCHEMBL6080275 0.80 GAA (0.35) GAAALDH1A1KDM4EMAPTSMN1; SMN2

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 GAA 589/4885ALDH1A1 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.