SCHEMBL1179370

SCHEMBL1179370

Fc1ccc(Br)c(CNC2=NCCS2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPY1R P25929 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 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
SCHEMBL1179258 0.83 MEN1 (0.44) ATML3MBTL1NPY1RSMN1; SMN2NPC1
SCHEMBL1178125 0.80 POLB (0.46) ATML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1178257 0.76 SMN1; SMN2 (0.39) ATML3MBTL1NPY1RSMN1; SMN2NPC1
SCHEMBL1178410 0.72 ATM (0.41) ATMSMN1; SMN2NPC1RAB9ATP53
SCHEMBL1178861 0.72 TAAR1 (0.34) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL1179621 0.72 HPGD (0.44) ATML3MBTL1NPY1RSMN1; SMN2NPC1
SCHEMBL11343118 0.70 TSHR (0.48) ATML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1178929 0.69 ATM (0.50) ATMSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL11349824 0.69 SMN1; SMN2 (0.48) ATML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1178882 0.68 GAA (0.56) ATMSMN1; SMN2NPC1RAB9ATP53

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 ATM 3602/4885L3MBTL1 4270/4885NPY1R 240/4885

“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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