SCHEMBL12876102

SCHEMBL12876102

Cc1cc(F)cc(-c2nc(Cn3cc(C(=O)O)cn3)c(C)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
DCK P27707 2/20 0.38
KLKB1 P03952 2/20 0.35
DHODH Q02127 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
KCNH2 Q12809 2/20 0.35
ALKBH1 Q13686 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
NR1I2 O75469 1/20 0.33
GRM2 Q14416 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33

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
SCHEMBL1198731 0.88 RXRA (0.37) L3MBTL1DCKKLKB1PPARGPPARA
SCHEMBL12876099 0.88 GRM2 (0.45) L3MBTL1DCKRARARARBRARG
SCHEMBL12876109 0.88 L3MBTL1 (0.39) L3MBTL1KLKB1DHODHRARARARB
SCHEMBL1198936 0.88 L3MBTL1 (0.39) L3MBTL1KLKB1DHODHRARARARB
SCHEMBL12875936 0.84 RARA (0.43) L3MBTL1KLKB1DHODHRARARARB
SCHEMBL12876094 0.83 KCNH2 (0.43) L3MBTL1KLKB1RARARARBRARG
SCHEMBL12876052 0.83 DHODH (0.42) L3MBTL1KLKB1DHODHRARARARB
SCHEMBL12876055 0.82 DHODH (0.40) L3MBTL1KLKB1DHODHRARARARB
SCHEMBL1199366 0.80 MPL (0.40) KLKB1KCNH2TP53MAPTEGLN1
SCHEMBL1198548 0.80 EGLN1 (0.39) L3MBTL1KLKB1KCNH2MAPTRXRA

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 L3MBTL1 4726/4885DCK 1658/4885KLKB1 3765/4885

“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.