SCHEMBL4197265

SCHEMBL4197265

O=C1OCCc2cc(I)sc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
DYRK1A Q13627 2/20 0.34
DYRK2 Q92630 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 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
SCHEMBL4297259 0.78 NOTUM (0.37) NOTUMDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL4296395 0.75 NOTUM (0.35) NOTUMDYRK1ADYRK2DYRK1B
SCHEMBL18499865 0.73
SCHEMBL4190309 0.70 PRKDC (0.44) NOTUMALDH1A1LMNA
SCHEMBL4196242 0.65 MAP3K14 (0.48) NOTUMDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL18499845 0.64 MAPK14 (0.32)
SCHEMBL16853004 0.63 TDP2 (0.42) DYRK1ADYRK2DYRK1BALDH1A1LMNA
SCHEMBL4192898 0.63 MAOA (0.33) ALDH1A1LMNATP53TSHR
SCHEMBL31659472 0.63 MAOA (0.42) DYRK1ADYRK2DYRK1BALDH1A1LMNA
SCHEMBL4195370 0.62 MAOA (0.36) ALDH1A1LMNATP53TSHR

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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R NOTUM 4337/4885DYRK1A 257/4885DYRK2 329/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R NOTUM 4172/4885DYRK1A 277/4885DYRK2 377/4885

“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.