SCHEMBL5017240

SCHEMBL5017240

ClCCn1ccc(-c2cccnc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.43
CYP2E1 P05181 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2B6 P20813 3/20 0.43
CYP2C19 P33261 3/20 0.43
AR P10275 2/20 0.43
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A13 Q16696 1/20 0.41
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.40
FYN P06241 1/20 0.40
PIM1 P11309 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
METAP2 P50579 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 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
SCHEMBL5015503 0.91 CYP2A6 (0.44) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL27535692 0.86 CYP2A6 (0.44) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL5016843 0.84 AR (0.45) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL4260991 0.84 FYN (0.43) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL4260988 0.84 CYP2A6 (0.43) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL27487465 0.83 NAMPT (0.43) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL5017381 0.82 NAMPT (0.42) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL5025530 0.82 NAMPT (0.42) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL6691985 0.81 CYP2A6 (0.45) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL14405046 0.81 CYP2A6 (0.54) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 CYP2A6 405/4885CYP2E1 1629/4885CYP2C9 455/4885

“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.