SCHEMBL5577491

SCHEMBL5577491

CSc1ccc(C(=O)NCc2cccc(C3CCN(Cc4ccc(C#N)cc4)CC3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.56
CHRM4 P08173 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MCHR1 Q99705 1/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
PRKAA2 P54646 1/20 0.46
HDAC1 Q13547 1/20 0.45
CXCR3 P49682 2/20 0.45
TP53 P04637 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
ACKR3 P25106 1/20 0.44
POLB P06746 1/20 0.44
TNF P01375 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
SCHEMBL5577402 0.90 MEN1 (0.56) CHRM4KMT2AMEN1DRD2DRD4
SCHEMBL5577810 0.89 ALDH1A1 (0.56) KMT2AMEN1DRD2DRD4HDAC1
SCHEMBL5577693 0.89 CHRM3 (0.54) CHRM3KMT2AMEN1DRD2DRD4
SCHEMBL5577654 0.89 MEN1 (0.59) CHRM4KMT2AMEN1MCHR1DRD2
SCHEMBL5577835 0.87 DRD2 (0.51) CHRM3KMT2AMEN1DRD2DRD4
SCHEMBL5577288 0.87 CHRM3 (0.56) CHRM3CHRM4KMT2AMEN1DRD2
SCHEMBL5577741 0.86 DRD2 (0.54) CHRM3KMT2AMEN1DRD2DRD4
SCHEMBL5577467 0.86 TNF (0.48) KMT2AMEN1DRD2DRD4HDAC1
SCHEMBL5577479 0.84 CHRM2 (0.53) CHRM3CHRM4KMT2AMEN1MCHR1
SCHEMBL5577295 0.84 SMN1; SMN2 (0.53) CHRM3KMT2AMEN1MCHR1SIGMAR1

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 CHRM3 2099/4885CHRM4 3794/4885KMT2A 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.