SCHEMBL5867090

SCHEMBL5867090

Nc1cccc2cc(C(=Nc3cccc(Cl)c3)NO)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.52
LMNA P02545 2/20 0.43
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
PLAU P00749 1/20 0.42
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
TDO2 P48775 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5935553 0.82 LMNA (0.53) IDO1LMNAKMT2AMEN1ALDH1A1
SCHEMBL5866921 0.81 IDO1 (0.62) IDO1LMNAHTR3EHTR3BHTR3A
SCHEMBL5866943 0.80 KCNQ2 (0.43) IDO1LMNAKMT2AMEN1ALDH1A1
SCHEMBL5867018 0.79 IDO1 (0.42) IDO1LMNA
SCHEMBL5867078 0.76 CBR1 (0.44) IDO1LMNAHTR3EHTR3BHTR3A
SCHEMBL5867088 0.76 CBR1 (0.44) IDO1LMNAHTR3EHTR3BHTR3A
SCHEMBL5866857 0.74 IDO1 (0.58) IDO1MAPT
SCHEMBL5866888 0.74 LMNA (0.52) IDO1LMNATDO2KMT2AMEN1
SCHEMBL5866850 0.73 LMNA (0.62) IDO1LMNAKMT2AMEN1ALDH1A1
SCHEMBL5866771 0.73 IDO1 (0.56) IDO1NOS3NOS1NOS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148259-B1 Antibacterial agents AMGEN INC. (US) 2006-12-12 US disclosed
US-20060270651-A1 ANTIBACTERIAL AGENTS AMGEN INC. (US) 2006-11-30 US disclosed
US-7053234-B2 Antibacterial agents AMGEN INC. (US) 2006-05-30 US disclosed
US-20040235911-A1 hydroxyamidines; antibiotic resistance TULARIK INC. 2004-11-25 US disclosed
US-6780858-B2 Antibacterial agents TULARIK INC. 2004-08-24 US 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-20040235911-A1 hydroxyamidines; antibiotic resistance HNMT, HDHD5, ABCC1 IDO1 3464/4885LMNA 4115/4885HTR3E 1206/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP IDO1 3821/4885LMNA 4203/4885HTR3E 2821/4885

“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.