SCHEMBL6029384

SCHEMBL6029384

O=C(NCC[S])c1ccc(-n2cccn2)nc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.69
LMNA P02545 1/20 0.61
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 2/20 0.53
BRD4 O60885 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
PARP1 P09874 1/20 0.45
NAMPT P43490 1/20 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
SCHEMBL6029386 0.88 CXCR4 (0.69) CXCR4LMNAKDM4EALDH1A1RXFP1
SCHEMBL13876382 0.85 CXCR4 (0.66) CXCR4LMNAKDM4EALDH1A1RXFP1
SCHEMBL27617531 0.85 CXCR4 (0.65) CXCR4LMNAKDM4EALDH1A1RXFP1
SCHEMBL5947788 0.83 CXCR4 (0.70) CXCR4LMNAKDM4EALDH1A1RXFP1
SCHEMBL31023548 0.78 CXCR4 (0.62) CXCR4LMNAKDM4EALDH1A1RXFP1
SCHEMBL2641304 0.78 CYP1A2 (0.60) CXCR4ALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL322839 0.77 LMNA (1.00) CXCR4LMNAKDM4EALDH1A1RXFP1
SCHEMBL29425707 0.77 LMNA (1.00) CXCR4LMNAKDM4EALDH1A1RXFP1
SCHEMBL14392512 0.76 LMNA (0.59) CXCR4LMNAKDM4EALDH1A1RXFP1
SCHEMBL3503653 0.76 LMNA (0.75) CXCR4LMNAKDM4EALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 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 (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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A CXCR4 2657/4885LMNA 2498/4885KDM4E 4181/4885

“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.