SCHEMBL4123546

SCHEMBL4123546

CCNCc1ccc(Br)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 3/20 0.35
AAK1 Q2M2I8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR4 P61073 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL6256708 0.85 CCR5 (0.48) CCR5SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4115232 0.81 SLC6A4 (0.45) SLC6A2SLC6A4ALDH1A1KDM4EMEN1
SCHEMBL30673419 0.80 KDM4E (0.42) ALDH1A1AAK1KDM4EPOLBMEN1
SCHEMBL560494 0.80 KDM4E (0.42) ALDH1A1AAK1KDM4EPOLBMEN1
SCHEMBL16429762 0.79 USP28 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2CXCR4
SCHEMBL4437659 0.79 EDNRB (0.37) ALDH1A1KDM4EPOLBCTDSP1MEN1
SCHEMBL18685094 0.78 CCR5 (0.51) CCR5SLC6A4ALDH1A1KDM4EPOLB
SCHEMBL31155264 0.76 KDM4E (0.42) ALDH1A1AAK1KDM4EPOLBMEN1
SCHEMBL134773 0.74 CCR5 (0.48) CCR5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL26985827 0.74 CCR5 (0.51) CCR5ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 US disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 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-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB1, TUBA1C CCR5 3769/4885SLC6A2 3084/4885SLC6A4 3524/4885

“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.