SCHEMBL4281946

SCHEMBL4281946

O=C(O)c1ncn([C@H]2CCCC[C@@H]2O)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.46
HCAR1 Q9BXC0 2/20 0.41
MAPK14 Q16539 5/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
KDM4C Q9H3R0 2/20 0.38
KMT2A Q03164 1/20 0.37
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TGFBR2 P37173 1/20 0.36
EGFR P00533 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR1 P21554 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL4281165 0.88 HCAR1 (0.43) HCAR1ALDH1A1KCNH2CNR1SMN1; SMN2
SCHEMBL4285431 0.88 HCAR1 (0.38) TGFBR1HCAR1KCNH2
SCHEMBL4788338 0.87 HCAR1 (0.44) HCAR1KCNH2CNR1SMN1; SMN2
SCHEMBL4788333 0.87 HCAR1 (0.44) HCAR1KCNH2CNR1SMN1; SMN2
SCHEMBL4788332 0.87 HCAR1 (0.44) HCAR1KCNH2CNR1SMN1; SMN2
SCHEMBL4289050 0.86 KDM4C (0.40) TGFBR1HCAR1KDM4C
SCHEMBL4287776 0.86 KDM4C (0.40) TGFBR1HCAR1KDM4C
SCHEMBL4284854 0.83 GABRG2 (0.46) TGFBR1MAPK14KMT2AALDH1A1CA1
SCHEMBL13705074 0.81 HCAR1 (0.39) TGFBR1HCAR1KMT2AKCNH2NPC1
SCHEMBL4291358 0.79 HCAR1 (0.38) TGFBR1HCAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TGFBR1 1829/4885HCAR1 1471/4885MAPK14 436/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TGFBR1 1829/4885HCAR1 1471/4885MAPK14 436/4885

“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.