SCHEMBL6035071

SCHEMBL6035071

O=C(O)N1CCN(C(=O)c2ccc(Br)o2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 6/20 0.58
LMNA P02545 3/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
CHRNB2 P17787 4/20 0.55
CHRNB4 P30926 4/20 0.55
CHRNA3 P32297 4/20 0.55
CHRNA4 P43681 4/20 0.55
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHRNA7 P36544 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL3153541 0.86 TSHR (0.58) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL1771402 0.85 KMT2A (0.59) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL2673282 0.83 TSHR (0.67) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL3150435 0.83 ALDH1A1 (0.59) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL27506976 0.81 TSHR (0.55) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL6599669 0.81 CHRNB2 (0.61) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL6598093 0.81 TSHR (0.54) TSHRALDH1A1LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL1763285 0.80 CHRNB2 (0.60) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL3512817 0.79 MAOB (0.61) TSHRALDH1A1LMNAKMT2AMEN1
Ethylene SCHEMBL8379882 0.79 TSHR (0.52) TSHRALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL TSHR 898/4885ALDH1A1 2625/4885LMNA 114/4885

“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.