SCHEMBL5577545

SCHEMBL5577545

O=C(NCc1cccc(C2CCN(Cc3ccc(Cl)cc3)CC2)c1)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 1/20 0.51
DRD2 P14416 2/20 0.50
ACKR3 P25106 3/20 0.48
CHRM3 P20309 1/20 0.48
EGLN1 Q9GZT9 1/20 0.46
CHRM4 P08173 1/20 0.46
CXCR4 P61073 1/20 0.46
MCHR1 Q99705 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL5577611 0.86 MEN1 (0.59) ALDH1A1MEN1KMT2ADRD2ACKR3
SCHEMBL5577618 0.85 CHRM3 (0.60) HPGDMEN1KMT2ADRD2ACKR3
SCHEMBL5577607 0.84 ACHE (0.57) ALDH1A1HPGDMEN1KMT2ATP53
SCHEMBL5577612 0.83 CHRM3 (0.56) MEN1KMT2ADRD2ACKR3CHRM3
SCHEMBL5577353 0.83 CHRM3 (0.56) MEN1KMT2ADRD2ACKR3CHRM3
SCHEMBL5577378 0.82 DRD4 (0.64) MEN1KMT2AACKR3CHRM3MCHR1
SCHEMBL5577693 0.81 CHRM3 (0.54) MEN1KMT2ADRD2ACKR3CHRM3
SCHEMBL5577563 0.80 DRD2 (0.58) MEN1KMT2ATP53DRD2ACKR3
SCHEMBL5577405 0.80 CCR2 (0.65) MEN1KMT2ACHRM3CHRM4
SCHEMBL5577381 0.78 CHRM3 (0.53) ALDH1A1MEN1KMT2ADRD2ACKR3

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 ALDH1A1 1147/4885HPGD 855/4885MEN1 748/4885

“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.