SCHEMBL5577402

SCHEMBL5577402

CSc1ccc(C(=O)NCc2cccc(C3CCN(Cc4ccccc4)CC3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
DRD2 P14416 4/20 0.56
DRD4 P21917 1/20 0.56
SIGMAR1 Q99720 2/20 0.53
ALDH1A1 P00352 2/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
CHRM4 P08173 1/20 0.50
PKM P14618 1/20 0.49
ACHE P22303 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
SCHEMBL5577810 0.93 ALDH1A1 (0.56) MEN1KMT2ADRD2DRD4SIGMAR1
SCHEMBL5577693 0.93 CHRM3 (0.54) MEN1KMT2ADRD2DRD4SIGMAR1
SCHEMBL5577654 0.93 MEN1 (0.59) MEN1KMT2ADRD2DRD4SIGMAR1
SCHEMBL5577288 0.91 CHRM3 (0.56) MEN1KMT2ADRD2DRD4ALDH1A1
SCHEMBL5577835 0.91 DRD2 (0.51) MEN1KMT2ADRD2DRD4SIGMAR1
SCHEMBL5577491 0.90 CHRM3 (0.56) MEN1KMT2ADRD2DRD4SIGMAR1
SCHEMBL5577467 0.90 TNF (0.48) MEN1KMT2ADRD2DRD4SIGMAR1
SCHEMBL5577741 0.90 DRD2 (0.54) MEN1KMT2ADRD2DRD4SIGMAR1
SCHEMBL5577427 0.89 ACKR3 (0.55) KMT2ADRD2DRD4ALDH1A1CHRM4
SCHEMBL5577479 0.88 CHRM2 (0.53) MEN1KMT2ADRD2DRD4CHRM4

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 3527/4885DRD2 4468/4885

“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.