SCHEMBL13312200

SCHEMBL13312200

CC(=O)c1cc(-c2ccco2)nc2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.80
POLB P06746 10/20 0.80
ALDH1A1 P00352 9/20 0.80
L3MBTL1 Q9Y468 8/20 0.80
TDP1 Q9NUW8 7/20 0.80
HPGD P15428 6/20 0.80
GLA P06280 4/20 0.80
GAA P10253 3/20 0.80
HSD17B10 Q99714 2/20 0.80
ESR1 P03372 1/20 0.80
TP53 P04637 1/20 0.80
MAPK1 P28482 1/20 0.80
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
RECQL P46063 6/20 0.65
MCL1 Q07820 5/20 0.65
BLM P54132 4/20 0.65
PKM P14618 2/20 0.65
APEX1 P27695 1/20 0.65
MAPT P10636 6/20 0.63

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
SCHEMBL4460070 0.89 KDM4E (0.80) KDM4EPOLBALDH1A1L3MBTL1TDP1
SCHEMBL29703130 0.89 KDM4E (1.00) KDM4EPOLBALDH1A1L3MBTL1TDP1
SCHEMBL116036 0.89 KDM4E (1.00) KDM4EPOLBALDH1A1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL4472928 0.87 KDM4E (0.97) KDM4EPOLBALDH1A1L3MBTL1TDP1
SCHEMBL28520534 0.86 KDM4E (0.80) KDM4EPOLBALDH1A1L3MBTL1TDP1
SCHEMBL17348467 0.83 KDM4E (0.62) KDM4EPOLBESR1MEN1KMT2A
SCHEMBL3331112 0.82 UBE2I (0.78) KDM4EPOLBALDH1A1L3MBTL1TDP1
SCHEMBL29082945 0.82 L3MBTL1 (0.79) KDM4EPOLBALDH1A1L3MBTL1TDP1
SCHEMBL6209856 0.79 KDM4E (0.76) KDM4EPOLBESR1MEN1KMT2A
SCHEMBL23722921 0.78 CACNA1B (0.75) KDM4EPOLBALDH1A1L3MBTL1TDP1

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-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC KDM4E 1730/4885POLB 3928/4885ALDH1A1 772/4885

“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.