SCHEMBL20437115

SCHEMBL20437115

Cc1cc(O)cc(N2C(=O)C(Br)=C(Br)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.42
CCR6 P51684 1/20 0.42
ESR1 P03372 4/20 0.41
ESR2 Q92731 3/20 0.41
HCAR1 Q9BXC0 1/20 0.37
GRM5 P41594 5/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
COMT P21964 1/20 0.34

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
SCHEMBL17114060 0.86 ESR1 (0.47) HSP90AA1ESR1ESR2NPSR1NPC1
SCHEMBL7334559 0.79 GRM5 (0.58) ESR1ESR2GRM5NPC1RAB9A
SCHEMBL12034643 0.71 ESR1 (0.46) ALDH1A1ESR1ESR2GRM5NPC1
SCHEMBL10835050 0.70 ELANE (0.60) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL11609933 0.66 LMNA (0.57) LMNAALDH1A1HSP90AA1CCR6GRM5
SCHEMBL8884854 0.64 CCR6 (0.35) LMNAALDH1A1HSP90AA1CCR6ESR1
SCHEMBL11574035 0.64 ALDH1A1 (1.00) LMNAALDH1A1ESR1ESR2HCAR1
SCHEMBL28714 0.64
Orcinol SCHEMBL68497 0.64
SCHEMBL1013954 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215709-A1 TYPE III DEIODINASE INHIBITORS AND USES THEREOF HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2018-08-02 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 (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-20180215709-A1 TYPE III DEIODINASE INHIBITORS AND USES THEREOF TPO, DPP3, HSD17B3 LMNA 4356/4885ALDH1A1 212/4885HSP90AA1 3386/4885

“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.