SCHEMBL1180320

SCHEMBL1180320

Fc1ccc(Br)cc1CNC1=NCCS1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33

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
SCHEMBL1179621 0.83 HPGD (0.44) HPGDSMN1; SMN2L3MBTL1ALDH1A1ATM
SCHEMBL1178940 0.75 POLB (0.39) HPGDSMN1; SMN2L3MBTL1ALDH1A1ATM
SCHEMBL1178125 0.74 POLB (0.46) SMN1; SMN2L3MBTL1ALDH1A1ATMTSHR
SCHEMBL1178471 0.72 MEN1 (0.34) HPGDL3MBTL1ALDH1A1POLBMAPT
SCHEMBL1178410 0.69 ATM (0.41) HPGDSMN1; SMN2ALDH1A1ATMTSHR
SCHEMBL1180626 0.69 POLB (0.39) HPGDSMN1; SMN2L3MBTL1ALDH1A1ATM
SCHEMBL10209952 0.67 BRD4 (0.37) HPGDSMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL6912399 0.67 SLC6A4 (0.45) —
SCHEMBL11348223 0.66 MAPK1 (0.58) HPGDSMN1; SMN2ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL4206022 0.65 LMNA (0.47) SMN1; SMN2L3MBTL1ATMTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459542-B1 Substituted N-benzyl-4,5-dihydrooxazol-2-amines useful as selective alpha 2B/2C receptor agonists ALLERGAN INC (US) 2014-10-29 — — EP disclosed
EP-2459542-B1 Substituted N-benzyl-4,5-dihydrooxazol-2-amines useful as selective alpha 2B/2C receptor agonists ALLERGAN INC (US) 2014-10-29 — — EP disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
EP-2459542-A1 SELECTIVE ALPHA 2B/2C AGONISTS Allergan, Inc. (US) 2012-06-06 — — EP disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
WO-2011014332-A1 SELECTIVE ALPHA 2B/2C AGONISTS ALLERGAN, INC. (US) 2011-02-03 — — WO disclosed
WO-2011014332-A1 SELECTIVE ALPHA 2B/2C AGONISTS ALLERGAN, INC. (US) 2011-02-03 — — 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-20110028523-A1 Selective Alpha 2B/2C Agonists ADRA2C, ADRA2B, ADRB2 HPGD 1442/4885SMN1; SMN2 1092/4885L3MBTL1 4270/4885

“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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