SCHEMBL5577829

SCHEMBL5577829

O=C(NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.51
CHRM3 P20309 1/20 0.47
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
MCHR1 Q99705 1/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
HTR4 Q13639 1/20 0.44
PRKAA2 P54646 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5577824 0.93 SIGMAR1 (0.48) SIGMAR1CHRM3SLC6A12TMEM97MCHR1
SCHEMBL5577528 0.93 SIGMAR1 (0.48) SIGMAR1CHRM3SLC6A12TMEM97MCHR1
SCHEMBL5577846 0.92 MT-CO2 (0.51) SIGMAR1SLC6A12TMEM97MCHR1HTR4
SCHEMBL5577759 0.91 SIGMAR1 (0.48) SIGMAR1SLC6A12TMEM97MCHR1HTR4
SCHEMBL5577726 0.90 SIGMAR1 (0.51) SIGMAR1SLC6A12TMEM97MCHR1PRKAA2
SCHEMBL5577515 0.89 POLB (0.53) SIGMAR1SLC6A12TMEM97MCHR1MEN1
SCHEMBL5577565 0.87 CCR3 (0.55) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL5577504 0.87 SIGMAR1 (0.51) SIGMAR1SLC6A12TMEM97MCHR1KMT2A
SCHEMBL5577399 0.87 SIGMAR1 (0.53) SIGMAR1SLC6A12TMEM97MCHR1ERCC1
SCHEMBL5577350 0.87 LMNA (0.51) SIGMAR1CHRM3SLC6A12TMEM97MCHR1

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 SIGMAR1 3281/4885CHRM3 2099/4885SLC6A12 2295/4885

“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.