SCHEMBL3936746

SCHEMBL3936746

NC(CO)Cc1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TPH1 P17752 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MMP1 P03956 1/20 0.42
FCER2 P06734 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
CYP1A2 P05177 2/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MGAM O43451 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE10A Q9Y233 1/20 0.40
ACACB O00763 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX1 P07099 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL4251107 0.83 AKT1 (0.47) AKT1MEN1KMT2ATPH1MMP1
Hydrochloric Acid SCHEMBL6480062 0.81 PCNA (0.41) AKT1KMT2ATPH1ALDH1A1PDGFRB
Hydrochloric Acid SCHEMBL6480066 0.81 PCNA (0.41) AKT1KMT2ATPH1ALDH1A1PDGFRB
SCHEMBL23009533 0.81 HTR2A (0.57) AKT1MEN1KMT2AMMP1FCER2
SCHEMBL22401385 0.81 HTR2A (0.57) AKT1MEN1KMT2AMMP1FCER2
SCHEMBL30969128 0.79 TPH1 (0.62) TPH1MMP1FCER2MMP3MMP9
SCHEMBL31614353 0.79 TPH1 (0.62) TPH1MMP1FCER2MMP3MMP9
SCHEMBL287095 0.79 TPH1 (0.62) TPH1MMP1FCER2MMP3MMP9
SCHEMBL287073 0.79 TPH1 (0.62) TPH1MMP1FCER2MMP3MMP9
SCHEMBL8208523 0.79 TPH1 (0.62) TPH1MMP1FCER2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US claimed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP claimed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 AKT1 2774/4885MEN1 397/4885KMT2A 331/4885

“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.