SCHEMBL1178882

SCHEMBL1178882

Clc1ccccc1CNC1=NCCS1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ POLB P06746 1/20 0.50
▸ ATM Q13315 1/20 0.48
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL1178846 0.88 ATM (0.49) GAATSHRPOLBATMHPGD
Hydrochloric Acid SCHEMBL4203364 0.87 ATM (0.48) GAATSHRPOLBATMHPGD
SCHEMBL1178929 0.85 ATM (0.50) GAATSHRPOLBATMHPGD
SCHEMBL1178134 0.85 MAPT (0.48) GAATSHRPOLBATMHPGD
SCHEMBL1178550 0.85 ATM (0.47) GAATSHRPOLBATMHPGD
SCHEMBL11349824 0.83 SMN1; SMN2 (0.48) TSHRPOLBATMALDH1A1TP53
SCHEMBL1178781 0.82 TSHR (0.45) GAATSHRATMALDH1A1TP53
SCHEMBL1178125 0.81 POLB (0.46) GAATSHRPOLBATMALDH1A1
SCHEMBL1179621 0.80 HPGD (0.44) GAATSHRPOLBATMHPGD
SCHEMBL1178410 0.80 ATM (0.41) GAATSHRPOLBATMHPGD

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 GAA 1537/4885TSHR 330/4885POLB 1411/4885

“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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