SCHEMBL1198409

SCHEMBL1198409

Cc1sc(-c2cccc(C(C)(F)F)c2F)nc1Cn1cc(C(=O)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KCNH2 Q12809 3/20 0.33
MPL P40238 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
GRIN2B Q13224 1/20 0.32
PIM1 P11309 2/20 0.32
KLKB1 P03952 4/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALKBH1 Q13686 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL1197772 0.94 MPL (0.40) L3MBTL1MPLGRIN2BPIM1KLKB1
SCHEMBL30617732 0.94 MPL (0.40) L3MBTL1MPLGRIN2BPIM1KLKB1
SCHEMBL1198150 0.89 GRM2 (0.40) L3MBTL1POLBKLKB1RARARARB
SCHEMBL12876089 0.88 L3MBTL1 (0.41) L3MBTL1POLBTDP1GRIN2BKLKB1
SCHEMBL1198155 0.85 EIF4E (0.38) L3MBTL1KCNH2POLBTDP1S1PR1
SCHEMBL1198005 0.83 GRM2 (0.40) L3MBTL1MPLPOLBGRIN2BPIM1
SCHEMBL15418750 0.80 MPL (0.38) MPLGRIN2BPIM1KLKB1PPARG
SCHEMBL12876174 0.80 L3MBTL1 (0.41) L3MBTL1POLBTDP1KLKB1RARA
SCHEMBL1199366 0.77 MPL (0.40) KCNH2MPLGRIN2BKLKB1EGLN1
SCHEMBL1198840 0.77 ALDH1A1 (0.53) KCNH2RARARARBRARGEGLN1

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 7 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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
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
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP 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 4726/4885KCNH2 140/4885MPL 1170/4885

“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.