SCHEMBL10053288

SCHEMBL10053288

Clc1cccc(B2OCCCNCc3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.34
HTR7 P34969 2/20 0.33
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
HTR2C P28335 3/20 0.31
SSTR4 P31391 1/20 0.30
TP53 P04637 2/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
CYP1A2 P05177 1/20 0.30
ADRB1 P08588 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2D6 P10635 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR2B P41595 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
SCHEMBL596553 0.84 CA12 (0.37) HTR7HTR2CCYP1A2HTR1ACYP2C9
SCHEMBL14390488 0.82 CA12 (0.36) HTR7CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL595037 0.81 CA1 (0.46) HTR7HTR2CTP53NPC1TSHR
SCHEMBL10053211 0.81 CA1 (0.33)
SCHEMBL10053214 0.80 CA12 (0.37) HTR7
SCHEMBL500424 0.78 CA1 (0.43) HTR7HTR2CTP53NPC1TSHR
SCHEMBL10053286 0.77 DRD1 (0.36) MAOBHTR2CCYP2D6HTR2ASLC6A4
SCHEMBL6829118 0.66 ALDH1A1 (0.36) PNMTHTR7CYP1A2SLC6A4HTT
SCHEMBL5892428 0.65 HTR2C (0.41) HTR7HTR2CTP53HTR3EHTR3B
SCHEMBL500064 0.65 CA1 (0.49) HTR7MAOBRAB9A

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
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
WO-2007131072-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 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-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA PNMT 2600/4885HTR7 4403/4885CD44 2220/4885

“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.