SCHEMBL5577467

SCHEMBL5577467

CSc1ccc(C(=O)NCc2cccc(C3CCN(Cc4ccc(N5CCCC5)cc4)CC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HDAC1 Q13547 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PKM P14618 1/20 0.44
POLB P06746 2/20 0.44
ADRB2 P07550 1/20 0.44
MAPT P10636 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) KMT2AMEN1DRD2DRD4ALDH1A1
SCHEMBL5577693 0.89 CHRM3 (0.54) KMT2AMEN1DRD2DRD4HDAC1
SCHEMBL5577810 0.89 ALDH1A1 (0.56) TNFKMT2AMEN1DRD2DRD4
SCHEMBL5577654 0.89 MEN1 (0.59) TNFKMT2AMEN1DRD2DRD4
SCHEMBL5577288 0.87 CHRM3 (0.56) KMT2AMEN1DRD2DRD4ALDH1A1
SCHEMBL5577835 0.87 DRD2 (0.51) TNFKMT2AMEN1DRD2DRD4
SCHEMBL5577741 0.86 DRD2 (0.54) TNFKMT2AMEN1DRD2DRD4
SCHEMBL5577491 0.86 CHRM3 (0.56) TNFKMT2AMEN1DRD2DRD4
SCHEMBL5577479 0.84 CHRM2 (0.53) KMT2AMEN1DRD2DRD4POLB
SCHEMBL5577295 0.84 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1LMNASIGMAR1

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 TNF 36/4885KMT2A 3527/4885MEN1 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.