SCHEMBL2178906

SCHEMBL2178906

COCCCOc1cc(CBr)cc(C(=O)Nc2cnccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
TSHR P16473 3/20 0.50
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 4/20 0.40

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
SCHEMBL2175813 0.90 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL2176169 0.86 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL2178910 0.85 GCK (0.53) GCK
SCHEMBL2179947 0.84 GCK (0.52) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL2177674 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL2178397 0.83 GCK (0.55) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL2181200 0.81 GCK (0.55) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL2179286 0.80 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL2178520 0.79 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL2176262 0.78 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1MAPTKMT2A

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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 CHRNB2 4724/4885CHRNB4 4805/4885CHRNA3 4808/4885

“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.