SCHEMBL5577877

SCHEMBL5577877

Cc1ccc(C(=O)NCc2ccc(C3CCN(Cc4ccc(N(C)C)cc4)CC3)cc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 2/20 0.49
GFER P55789 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC1 Q13547 3/20 0.44
MCHR1 Q99705 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACKR3 P25106 1/20 0.42
PKM P14618 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5577272 0.93 DRD2 (0.48) ALDH1A1KDM4EHTTGFERMEN1
SCHEMBL5577352 0.92 MEN1 (0.49) ALDH1A1GFERMEN1KMT2AHDAC1
SCHEMBL5577828 0.89 POLB (0.53) ALDH1A1KDM4EMEN1KMT2AHDAC1
SCHEMBL5577876 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EHTTGFERMEN1
SCHEMBL5577497 0.85 DRD2 (0.58) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL5577744 0.83 ABCB1 (0.49) ALDH1A1KDM4EMCHR1SMN1; SMN2
SCHEMBL5577864 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL5577280 0.81 MEN1 (0.59) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL5577622 0.81 MEN1 (0.60) ALDH1A1MEN1KMT2AHDAC1MCHR1
SCHEMBL5577475 0.80 TSHR (0.62) ALDH1A1KDM4EHTTMEN1KMT2A

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 1147/4885KDM4E 4213/4885HTT 2459/4885

“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.