SCHEMBL1178550

SCHEMBL1178550

Cc1c(Cl)cccc1CNC1=NCCS1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ TSHR P16473 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ P2RX7 Q99572 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CD38 P28907 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL4209923 0.86 LMNA (0.46) ATMTSHRGAAMAPTSMN1; SMN2
SCHEMBL1178846 0.86 ATM (0.49) ATMTSHRGAAMAPTSMN1; SMN2
SCHEMBL1178882 0.85 GAA (0.56) ATMTSHRGAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4203364 0.84 ATM (0.48) ATMTSHRGAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4206022 0.84 LMNA (0.47) ATMTSHRGAAMAPTSMN1; SMN2
SCHEMBL1178134 0.83 MAPT (0.48) ATMTSHRGAAMAPTSMN1; SMN2
SCHEMBL1178929 0.83 ATM (0.50) ATMTSHRGAAMAPTSMN1; SMN2
SCHEMBL1178797 0.83 RAB9A (0.43) ATMTSHRGAAMAPTSMN1; SMN2
SCHEMBL1178781 0.83 TSHR (0.45) ATMTSHRGAAMAPTSMN1; SMN2
SCHEMBL11349824 0.81 SMN1; SMN2 (0.48) ATMTSHRMAPTSMN1; SMN2NPC1

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 10 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

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 3602/4885TSHR 330/4885GAA 1537/4885

“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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