SCHEMBL3389125

SCHEMBL3389125

Cc1ccc(-c2cccnc2C(=O)O)c(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
AGER Q15109 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYC P01106 2/20 0.47
CYP1A2 P05177 1/20 0.44
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGFBR1 P36897 2/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL264270 0.85 HCRTR2 (0.50) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL30775045 0.85 HCRTR2 (0.50) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL607037 0.83 HCRTR2 (0.49) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
Lithium SCHEMBL607039 0.83 HCRTR2 (0.49) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL16041105 0.83 HCRTR2 (0.43) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL30719725 0.81 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL3385678 0.81 KDM4E (0.48) KDM4EALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL30775055 0.81 KDM4E (0.48) KDM4EALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL2406304 0.80 KDM4E (0.49) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL11381734 0.80 ALDH1A1 (0.49) KDM4EALDH1A1MAPTL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B KDM4E 1224/4885ALDH1A1 882/4885MAPT 2636/4885

“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.