SCHEMBL6079182

SCHEMBL6079182

C#Cc1cc(C#N)c2nc(C(=O)OC)cc(O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LCK P06239 1/20 0.34
LMNA P02545 1/20 0.34
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
NQO2 P16083 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.32
HPGD P15428 4/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32

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
SCHEMBL6080275 0.85 GAA (0.35) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6591404 0.85 GPR35 (0.35) KDM4EMAPTKMT2ATDP1
SCHEMBL6080128 0.82 GAA (0.39) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6079862 0.81 GAA (0.38) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6079541 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL6079703 0.79 ALDH1A1 (0.40) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL31726174 0.79 ALDH1A1 (0.40) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6080353 0.78 NQO2 (0.41) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6080503 0.76 ALDH1A1 (0.44) GAAALDH1A1KDM4ESMN1; SMN2RXFP1
SCHEMBL6079854 0.74 CTSB (0.41) ALDH1A1MAPTLCKKMT2A

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.