SCHEMBL4559801

SCHEMBL4559801

CCCC(Br)NC(=O)c1cc2ccccc2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.48
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.42
▸ CBLB Q13191 2/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL4560488 0.85 EGLN1 (0.49) EGLN1HDAC3HDAC1HDAC2USP30
SCHEMBL6368422 0.79 PYGL (0.51) EGLN1HDAC3HDAC1HDAC2MCHR1
SCHEMBL31016920 0.76 HDAC3 (0.65) EGLN1HDAC3HDAC1HDAC2EGFR
SCHEMBL16307678 0.76 HDAC3 (0.57) EGLN1HDAC3HDAC1HDAC2USP30
SCHEMBL5926432 0.75 MEN1 (0.60) EGLN1CBLBMAP3K5EGFR
SCHEMBL213288 0.74 EGLN1 (0.60) EGLN1HDAC3HDAC1HDAC2USP30
SCHEMBL14883271 0.74 EGLN1 (0.56) EGLN1HDAC3HDAC1HDAC2USP30
SCHEMBL27482350 0.72 EGLN1 (0.46) EGLN1HDAC3HDAC1HDAC2USP30
SCHEMBL14876092 0.72 EGLN1 (0.57) EGLN1HDAC3HDAC1HDAC2USP30
SCHEMBL14875993 0.71 EGLN1 (0.57) EGLN1HDAC3HDAC1HDAC2USP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 — — US 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 EGLN1 2852/4885HDAC3 868/4885HDAC1 2598/4885

“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.

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