SCHEMBL6080449

SCHEMBL6080449

CC(=O)Nc1cccc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR35 Q9HC97 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
APOBEC3A P31941 1/20 0.41
GFER P55789 1/20 0.41
HDAC1 Q13547 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MMP2 P08253 2/20 0.41
POLB P06746 2/20 0.40
CASP6 P55212 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PARP14 Q460N5 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6080091 0.85 TOP2A (0.41) KDM4EALDH1A1KMT2AMEN1MMP2
Hydrochloric Acid SCHEMBL6080479 0.84 ACHE (0.45) KDM4EGPR35KMT2AMMP2MAPT
SCHEMBL6079926 0.84 NPC1 (0.55) ALDH1A1GPR35KMT2AMEN1HDAC1
Xanthurenate SCHEMBL29394132 0.79 KDM4E (0.59) KDM4EL3MBTL1KMT2AMAPTRAB9A
Xanthurenate SCHEMBL379760 0.79 KDM4E (0.59) KDM4EL3MBTL1KMT2AMAPTRAB9A
Xanthurenate SCHEMBL29911018 0.79 KDM4E (0.59) KDM4EL3MBTL1KMT2AMAPTRAB9A
SCHEMBL2909426 0.78 KDM4E (0.49) KDM4ELMNAGPR35KMT2AMEN1
SCHEMBL2910491 0.78 KDM4E (0.47) KDM4ELMNAALDH1A1SMN1; SMN2GPR35
SCHEMBL6080279 0.77 KDM4E (0.49) KDM4EKMT2AMEN1MMP2MAPT
SCHEMBL10373251 0.77 DHODH (0.44) KDM4ELMNAALDH1A1SMN1; SMN2MMP2

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 KDM4E 1006/4885LMNA 2027/4885ALDH1A1 2726/4885

“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.