SCHEMBL5577706

SCHEMBL5577706

O=C(NCc1ccc(C2CCN(Cc3ccc(Cl)cc3)CC2)cc1)c1ccnc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.52
EGLN1 Q9GZT9 1/20 0.51
CXCR3 P49682 8/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ACKR3 P25106 1/20 0.46
CHRM4 P08173 1/20 0.46
MAPT P10636 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL5577369 0.88 MAPT (0.57) EGLN1MEN1KMT2AACKR3CHRM4
SCHEMBL5577747 0.87 ABCB1 (0.50)
SCHEMBL5577583 0.80 CCR3 (0.55) EGLN1CXCR3MEN1KMT2ACHRM4
SCHEMBL14586598 0.78 LMNA (0.55) ACKR3
SCHEMBL5577362 0.77 MEN1 (0.58) CXCR3MEN1KMT2AACKR3CHRM4
Hydrochloric Acid SCHEMBL5577422 0.77 LMNA (0.54) ACKR3
SCHEMBL5577618 0.77 CHRM3 (0.60) CXCR3MEN1KMT2AACKR3
SCHEMBL5577622 0.76 MEN1 (0.60) MEN1KMT2A
SCHEMBL5577873 0.76 DRD2 (0.53) MEN1KMT2A
SCHEMBL5577335 0.76 KCNH2 (0.53) CXCR3MEN1KMT2AACKR3

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 PROKR1 2306/4885EGLN1 2091/4885CXCR3 32/4885

“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.