SCHEMBL7067437

SCHEMBL7067437

C=CCCn1cnc(-c2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.65
CYP3A4 P08684 6/20 0.65
CYP2C19 P33261 4/20 0.65
CYP2E1 P05181 3/20 0.65
CYP2C9 P11712 3/20 0.65
CYP2B6 P20813 3/20 0.65
CYP2D6 P10635 2/20 0.59
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
CYP1A2 P05177 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP19A1 P11511 1/20 0.39
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR8 Q9NR97 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL5209764 0.87 CYP2A6 (0.67) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL27697055 0.86 CYP2A6 (0.69) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL6724033 0.86 CYP2A6 (0.68) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5493639 0.84 CYP2A6 (0.70) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL6720476 0.84 PDE10A (0.46) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5014459 0.83 CYP2A6 (0.68) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5208549 0.82 CYP2A6 (0.63) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5017549 0.81 CYP2A6 (0.70) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL8204568 0.81 CYP2A6 (0.80) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL1132959 0.81 CYP2A6 (0.70) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670331-B2 Clarithromycin macrolides having enhanced activity towards gram-negative bacteria and macrolide resistant gram-positive bacteria; active against MLSB-resistant strains (MLSB=Macrolides-Lincosamides-type B Streptogramines) ENANTA PHARMACEUTICALS, INC. 2003-12-30 US disclosed
US-20030114395-A1 Novel 11-O-substituted ketolide derivatives ENANTA PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2003047601-A1 NOVEL 11-O-SUBSTITUTED KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2003-06-12 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 (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-20030114395-A1 Novel 11-O-substituted ketolide derivatives CYP51A1, CYP2C9, CYP4A11 CYP2A6 25/4885CYP3A4 6/4885CYP2C19 13/4885

“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.