SCHEMBL3590516

SCHEMBL3590516

CC(C)(C)ON(C(=O)c1cccc(OCc2ccccc2)c1)c1ncc(Br)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.51
▸ MRGPRX4 Q96LA9 2/20 0.51
▸ NR4A2 P43354 2/20 0.50
▸ SMPD1 P17405 3/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ NR4A1 P22736 1/20 0.47
▸ NR4A3 Q92570 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ GPR132 Q9UNW8 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
SCHEMBL3598255 0.92 MAOB (0.53) MAOBMRGPRX4NR4A2SMPD1KMT2A
SCHEMBL3590513 0.76 MAOB (0.44) MAOBMRGPRX4NR4A2SMPD1MAOA
SCHEMBL10466517 0.72 MAOB (0.69) MAOBNR4A2SMPD1KMT2AMAOA
SCHEMBL4200015 0.70 MAOB (0.66) MAOBMRGPRX4NR4A2SMPD1KMT2A
SCHEMBL30678236 0.70 MAOB (0.66) MAOBMRGPRX4NR4A2SMPD1KMT2A
SCHEMBL3442746 0.70 NR4A2 (0.79) MAOBMRGPRX4NR4A2SMPD1KMT2A
SCHEMBL68983 0.69 MAOB (1.00) MAOBNR4A2SMPD1KMT2AMAOA
SCHEMBL339009 0.69 NR4A2 (1.00) MAOBMRGPRX4NR4A2SMPD1KMT2A
SCHEMBL30207018 0.69 NR4A2 (1.00) MAOBMRGPRX4NR4A2SMPD1KMT2A
SCHEMBL7908051 0.69 SRD5A2 (0.85) MAOBMRGPRX4NR4A2SMPD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 — — US claimed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 — — US claimed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 — — EP claimed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 — — WO claimed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 — — US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 — — US disclosed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 — — EP disclosed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 — — 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 (2 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-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT MAOB 313/4885MRGPRX4 4482/4885NR4A2 2045/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT MAOB 313/4885MRGPRX4 4482/4885NR4A2 2045/4885

“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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