SCHEMBL2546032

SCHEMBL2546032

Cc1ccc(OCBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
DRD4 P21917 5/20 0.48
DRD3 P35462 5/20 0.48
WDR5 P61964 1/20 0.48
ACHE P22303 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
KCNH2 Q12809 2/20 0.45
NQO1 P15559 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7445564 0.81 KDM4E (0.40) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL2414381 0.80 DRD2 (0.55) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL4716398 0.79 CA1 (0.58) ACHEL3MBTL1TDP1NPC1MAPT
SCHEMBL6249641 0.79 NQO1 (0.74) NQO1TDP1NPC1MAPT
SCHEMBL6626845 0.78 DRD2 (0.59) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL313373 0.78 DRD2 (0.64) DRD2DRD4DRD3WDR5ACHE
SCHEMBL1688857 0.78 ACHE (0.52) DRD2DRD4DRD3WDR5ACHE
SCHEMBL11582957 0.77 CA1 (0.55) ACHETDP1MAPT
SCHEMBL7432568 0.77 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1KCNH2
Hydrochloric Acid SCHEMBL10552592 0.76 DRD2 (0.50) DRD2DRD4DRD3WDR5ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880609-A Method for preparing 3,4-dimethoxytoluene USTC UNIV SCIENCE TECH CN 2014-06-25 CN disclosed
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
EP-2035360-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-03-18 EP disclosed
EP-2035367-A1 SHIP 1 MODULATOR PRODRUGS The University of British Columbia (CA) 2009-03-18 EP disclosed
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2007147252-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-12-27 WO disclosed
WO-2007147251-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-12-27 WO disclosed
US-3981886-A Amino-benzimidazole derivatives E. R. SQUIBB & SONS, INC. (US) 1976-09-21 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 (3 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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F DRD2 3073/4885DRD4 3615/4885DRD3 3422/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B DRD2 4344/4885DRD4 4282/4885DRD3 4424/4885
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 DRD2 4809/4885DRD4 4772/4885DRD3 4745/4885

“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.