SCHEMBL5025530

SCHEMBL5025530

[S]CCCn1ccc(-c2cccnc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
AR P10275 2/20 0.42
CYP2A6 P11509 7/20 0.41
CYP2E1 P05181 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL4260988 0.91 CYP2A6 (0.43) NAMPTARCYP2A6CYP2E1CYP2B6
SCHEMBL27487465 0.87 NAMPT (0.43) NAMPTARCYP2A6CYP2E1CYP2B6
SCHEMBL5017381 0.85 NAMPT (0.42) NAMPTARCYP2A6CYP2E1CYP2B6
SCHEMBL5015503 0.85 CYP2A6 (0.44) NAMPTARCYP2A6CYP2E1CYP2B6
SCHEMBL1385992 0.84 NAMPT (0.44) NAMPTARCYP2A6CYP2E1CYP2B6
SCHEMBL27535692 0.83 CYP2A6 (0.44) NAMPTARCYP2A6CYP2E1CYP2B6
SCHEMBL5016843 0.82 AR (0.45) NAMPTARCYP2A6CYP2E1CYP2B6
SCHEMBL5017240 0.82 CYP2A6 (0.43) ARCYP2A6CYP2E1CYP2B6CYP2C9
SCHEMBL4260991 0.82 FYN (0.43) ARCYP2A6CYP2E1CYP2B6CYP2C9
SCHEMBL14086610 0.82 CYP2A6 (0.41) NAMPTARCYP2A6CYP2E1CYP2B6

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
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP 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
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 NAMPT 3642/4885AR 2798/4885CYP2A6 405/4885

“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.