SCHEMBL12875641

SCHEMBL12875641

CCOC(=O)c1cnn(-c2nc(CC)cs2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
HPGD P15428 9/20 0.50
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 7/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 3/20 0.45
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
PKM P14618 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL12875625 0.90 MAPT (0.53) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12875649 0.90 MAPT (0.53) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12875652 0.82 MAPT (0.52) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12876310 0.81 MAPT (0.47) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12875645 0.81 MAPT (0.54) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12875662 0.80 MAPT (0.50) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12875657 0.80 MAPT (0.50) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12875632 0.79 MAPT (0.47) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12875559 0.78 HPGD (0.64) MAPTHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL12875628 0.78 MAPT (0.46) MAPTHPGDALDH1A1KDM4EL3MBTL1

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A MAPT 4667/4885HPGD 74/4885ALDH1A1 1037/4885

“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.