SCHEMBL5577362

SCHEMBL5577362

O=C(NCc1ccc(C2CCN(Cc3ccc(Cl)cc3)CC2)cc1)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CHRM4 P08173 1/20 0.54
DRD4 P21917 1/20 0.53
CHRM3 P20309 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
ACKR3 P25106 2/20 0.49
SLC6A12 P48065 1/20 0.49
CXCR3 P49682 1/20 0.49
CXCR4 P61073 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL5577476 0.85 LMNA (0.55) MEN1KMT2ACHRM3SMN1; SMN2BCHE
SCHEMBL5577583 0.83 CCR3 (0.55) MEN1KMT2ACHRM4DRD4CXCR3
SCHEMBL6358889 0.81 ALDH1A1 (0.65) MEN1KMT2ASMN1; SMN2
SCHEMBL5577369 0.80 MAPT (0.57) MEN1KMT2ACHRM4ACKR3
SCHEMBL5577828 0.79 POLB (0.53) MEN1KMT2A
SCHEMBL5577829 0.77 SIGMAR1 (0.51) MEN1KMT2ACHRM3SLC6A12
SCHEMBL5577706 0.77 PROKR1 (0.52) MEN1KMT2ACHRM4ACKR3CXCR3
SCHEMBL5577554 0.77 MT-CO2 (0.55) MEN1KMT2ACHRM4ACKR3BCHE
SCHEMBL5577650 0.77 MEN1 (0.62) MEN1KMT2AACHEBACE1
SCHEMBL5577389 0.77 CHRM3 (0.61) MEN1KMT2ACHRM4DRD4CHRM3

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 MEN1 748/4885KMT2A 3527/4885CHRM4 3794/4885

“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.