SCHEMBL1178030

SCHEMBL1178030

COc1ccccc1CNC1=NCCS1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ ATM Q13315 2/20 0.52
▸ TSHR P16473 2/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 5/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ RCOR1 Q9UKL0 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL11349824 0.82 SMN1; SMN2 (0.48) ALDH1A1MAPTRAB9AL3MBTL1ATM
SCHEMBL1177958 0.81 ATM (0.54) ALDH1A1MAPTRAB9AL3MBTL1ATM
SCHEMBL1178772 0.80 TSHR (0.46) ALDH1A1MAPTRAB9ATDP1L3MBTL1
SCHEMBL1179905 0.79 TSHR (0.45) ALDH1A1MAPTRAB9ATDP1L3MBTL1
SCHEMBL1178781 0.79 TSHR (0.45) ALDH1A1MAPTRAB9ATDP1L3MBTL1
SCHEMBL1178125 0.78 POLB (0.46) ALDH1A1RAB9AL3MBTL1ATMTSHR
SCHEMBL11348223 0.75 MAPK1 (0.58) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4206022 0.74 LMNA (0.47) MAPTRAB9AL3MBTL1ATMTSHR
SCHEMBL11751742 0.74 GAA (0.55) ALDH1A1MAPTRAB9ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL4211382 0.72 ALDH1A1 (0.56) ALDH1A1RAB9AL3MBTL1ATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001947-B1 2-AMINO-THIAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL PREPARATIONS INSTITUT MERIEUX (FR) 1981-10-14 — — EP claimed
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 ALDH1A1 1015/4885MAPT 3786/4885RAB9A 1710/4885

“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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