SCHEMBL1178781

SCHEMBL1178781

COc1c(Cl)cccc1CNC1=NCCS1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ ATM Q13315 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ P2RX7 Q99572 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1178772 0.86 TSHR (0.46) TSHRATMSMN1; SMN2RAB9AMEN1
SCHEMBL1179905 0.85 TSHR (0.45) TSHRATMSMN1; SMN2RAB9AMEN1
SCHEMBL1178550 0.83 ATM (0.47) TSHRATMSMN1; SMN2RAB9AMEN1
SCHEMBL1178846 0.82 ATM (0.49) TSHRATMSMN1; SMN2MEN1KMT2A
SCHEMBL1178882 0.82 GAA (0.56) TSHRATMSMN1; SMN2RAB9AGAA
Hydrochloric Acid SCHEMBL4203364 0.81 ATM (0.48) TSHRATMSMN1; SMN2MEN1KMT2A
SCHEMBL1178929 0.80 ATM (0.50) TSHRATMSMN1; SMN2RAB9AMEN1
SCHEMBL1178134 0.80 MAPT (0.48) TSHRATMSMN1; SMN2MEN1KMT2A
SCHEMBL1178030 0.79 ALDH1A1 (0.56) TSHRATMSMN1; SMN2RAB9AMEN1
SCHEMBL1178797 0.77 RAB9A (0.43) TSHRATMSMN1; SMN2RAB9AGAA

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 TSHR 330/4885ATM 3602/4885SMN1; SMN2 1092/4885

“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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