SCHEMBL5867078

SCHEMBL5867078

Nc1cccc2cc(/C(=N/O)Nc3cccc(Cl)c3)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBR1 P16152 1/20 0.44
AKR1C3 P42330 1/20 0.44
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
FADS1 O60427 2/20 0.40
GRM4 Q14833 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5867088 1.00 CBR1 (0.44) CBR1AKR1C3HTR3EHTR3BHTR3A
SCHEMBL5935552 0.82 HTT (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5935550 0.82 HTT (0.53) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5866920 0.81 MAPT (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5866919 0.81 MAPT (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5866830 0.81 CBR1 (0.45) CBR1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5866832 0.81 CBR1 (0.45) CBR1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5866940 0.80 KCNQ2 (0.46) CBR1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5866939 0.80 KCNQ2 (0.46) CBR1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5867011 0.79 CTPS1 (0.42) CBR1AKR1C3MEN1KMT2AALDH1A1

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 CBR1 3452/4885AKR1C3 4513/4885HTR3E 1206/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP CBR1 3505/4885AKR1C3 4582/4885HTR3E 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.