SCHEMBL5866946

SCHEMBL5866946

CCOc1cccc2cc(C(=Nc3ccccc3)NO)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CA9 Q16790 6/20 0.46
CA12 O43570 5/20 0.46
CA2 P00918 4/20 0.46
KDR P35968 1/20 0.46
CA1 P00915 2/20 0.45
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL5866942 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ADORA2AADORA1
SCHEMBL5866948 0.79 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ADORA2AADORA1
SCHEMBL5935553 0.78 LMNA (0.53) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL10651238 0.76 LMNA (0.71) CYP1A2CYP3A4CYP2C19ADORA2AADORA1
SCHEMBL2649753 0.76 KMT2A (0.59) CYP1A2CYP3A4CYP2C19ADORA2AADORA1
SCHEMBL5867094 0.74 MEN1 (0.57) CYP1A2CYP3A4CYP2C19ADORA2AADORA1
SCHEMBL5867064 0.73 IDO1 (0.52) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL5867063 0.73 IDO1 (0.52) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL6240470 0.73 KMT2A (0.56) CYP1A2CYP3A4CYP2C19ADORA2AADORA1
SCHEMBL7701284 0.73 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19ADORA2AADORA1

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 CYP1A2 2756/4885CYP3A4 1769/4885CYP2C19 1781/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP CYP1A2 2716/4885CYP3A4 1343/4885CYP2C19 2376/4885

“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.