SCHEMBL5577583

SCHEMBL5577583

O=C(NCc1ccc(C2CCN(Cc3ccc(Cl)cc3)CC2)cc1)c1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD4 P21917 1/20 0.49
NSD2 O96028 1/20 0.49
CHRM4 P08173 1/20 0.48
FAP Q12884 5/20 0.48
TACR1 P25103 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
CXCR3 P49682 1/20 0.46
PREP P48147 3/20 0.46
DPP7 Q9UHL4 2/20 0.45

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
SCHEMBL31512419 0.84 NSD2 (0.67) MEN1KMT2ANSD2EGLN1
SCHEMBL5577362 0.83 MEN1 (0.58) MEN1KMT2ADRD4CHRM4CXCR3
SCHEMBL5577706 0.80 PROKR1 (0.52) CCR3MEN1KMT2ACHRM4EGLN1
SCHEMBL5577771 0.80 DRD2 (0.53) CCR3DRD4NSD2
SCHEMBL5577369 0.79 MAPT (0.57) MEN1KMT2ACHRM4EGLN1
SCHEMBL10291897 0.74 CCR1 (0.69)
SCHEMBL2159728 0.74 CCR1 (0.69)
SCHEMBL10291900 0.73 CCR1 (0.70)
SCHEMBL12396998 0.73 CCR1 (0.70)
SCHEMBL5577650 0.72 MEN1 (0.62) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CCR3 120/4885MEN1 748/4885KMT2A 3527/4885

“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.