SCHEMBL5627

SCHEMBL5627

COc1cccc(NC2=NCCC2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.46
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 0.36
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PABPC1 P11940 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6399 0.84 ADRA2A (0.51) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL27885792 0.83 ADRA2A (0.57) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL27869467 0.83 POLB (0.49) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL5992 0.81 POLB (0.60) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL6104 0.75 POLB (0.54) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL5565 0.75 ADRA2A (0.54) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL6526 0.74 ADRA2A (0.66) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL10855708 0.72 ALDH1A1 (0.46) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL6056 0.71 POLB (0.59) ADRA2AADRA2BADRA2CALDH1A1POLB
SCHEMBL8794977 0.70 CA12 (0.44) ALDH1A1MAPTHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491017-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2014-08-27 EP claimed
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US claimed
EP-2491017-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-29 EP claimed
WO-2011050030-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-28 WO claimed
EP-2491017-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2014-08-27 EP disclosed
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US disclosed
EP-2491017-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-29 EP disclosed
WO-2011050030-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-28 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 (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-20120238615-A1 Alpha adrenergic receptor modulators ADRA2C, ADRB2, ADRB1 ADRA2A 4/4885ADRA2B 6/4885ADRA2C 1/4885

“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.