SCHEMBL12875853

SCHEMBL12875853

CCc1sc(-c2cccc(C)c2)nc1Cn1cc(C(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.38
FFAR1 O14842 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PPARD Q03181 1/20 0.37
GFER P55789 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL12876157 0.91 KLKB1 (0.43) KLKB1L3MBTL1LMNATRPM8KDM4E
SCHEMBL12875851 0.89 RARA (0.41) KLKB1L3MBTL1LMNARXFP1TRPM8
SCHEMBL12875936 0.89 RARA (0.43) KLKB1L3MBTL1LMNATRPM8KDM4E
SCHEMBL12875878 0.87 KLKB1 (0.40) KLKB1L3MBTL1LMNATRPM8KDM4E
SCHEMBL12875928 0.87 KLKB1 (0.56) KLKB1L3MBTL1LMNARXFP1KDM4E
SCHEMBL1198412 0.87 ALDH1A1 (0.48) KLKB1KDM4EALDH1A1MAPTPPARD
SCHEMBL12876169 0.84 KLKB1 (0.39) KLKB1L3MBTL1LMNATRPM8KDM4E
SCHEMBL12875881 0.84 KLKB1 (0.39) KLKB1L3MBTL1LMNATRPM8KDM4E
SCHEMBL12875963 0.83 PPARG (0.39) KLKB1L3MBTL1TRPM8KDM4EALDH1A1
SCHEMBL12876154 0.82 MAPT (0.41) KLKB1LMNATRPM8KDM4EALDH1A1

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 KLKB1 3765/4885L3MBTL1 4726/4885LMNA 2086/4885

“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.