SCHEMBL4119549

SCHEMBL4119549

Clc1cc(Cl)cc(CC(NC2=NCCN2)c2cccc(Cl)c2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ADRA2B P18089 2/20 0.44
▸ ADRA2C P18825 2/20 0.44
▸ ADRA1D P25100 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ ADRA1B P35368 2/20 0.44
▸ NISCH Q9Y2I1 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ SLC22A3 O75751 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ SLC47A1 Q96FL8 1/20 0.44

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
SCHEMBL3431760 0.88 ADRA2A (0.46) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL4111441 0.88 WDR5 (0.45) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL3432172 0.86 HTR1B (0.44) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL4785359 0.85 ADRA2A (0.43) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL3433804 0.85 CYP2D6 (0.46) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL4118066 0.84 ADRA2A (0.42) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL4119337 0.84 ADRA2A (0.42) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL4111426 0.83 HTR1B (0.47) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL1135238 0.82 ADRA2A (0.49) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL4118882 0.82 ADRA2A (0.44) ADRA2ALMNAADRA2BADRA2CADRA1D

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-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 — — 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-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A ADRA2A 3/4885LMNA 3061/4885ADRA2B 4/4885

“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.

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