SCHEMBL3544609

SCHEMBL3544609

CCS(=O)(=O)c1ccc(Oc2ccc(C)nc2Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.38
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GCK P35557 1/20 0.35
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
TGFBR1 P36897 1/20 0.31
GAA P10253 1/20 0.31
GRM5 P41594 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3542130 0.86 MPO (0.35) MAPTMEN1LMNAKMT2AGCK
SCHEMBL3540373 0.83 GCK (0.36) ALDH1A1GCKL3MBTL1
SCHEMBL3550266 0.78 GCK (0.35) GCK
SCHEMBL3550944 0.72 CCR2 (0.36) GCK
SCHEMBL2646549 0.71 GCK (0.36) MEN1LMNAKMT2AGCKGAA
SCHEMBL12924641 0.71 NFE2L2 (0.47) MAPTLMNAGCK
SCHEMBL3548140 0.70 GCK (0.47) GCK
SCHEMBL3539198 0.70 NFE2L2 (0.42) SMN1; SMN2MEN1LMNAKMT2AGCK
SCHEMBL3545385 0.69 GCK (0.35) GCKGRM5
SCHEMBL20116703 0.67 S1PR4 (0.55) S1PR4NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935890-B1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD KK (JP) 2016-03-16 EP disclosed
US-7799820-B2 2-Heterocycle-substituted indole derivatives for treating diabetes and associated conditions BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 US disclosed
EP-1935890-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 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-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE GCKR, GPR119, GCK S1PR4 2109/4885NPC1 2364/4885RAB9A 3673/4885

“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.