SCHEMBL1356971

SCHEMBL1356971

O=C(Nc1ccccc1)C(N1CCCC1)n1ncc2cncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.38
PTPN11 Q06124 2/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
HTR1E P28566 1/20 0.35
S1PR3 Q99500 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DGAT1 O75907 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL1356308 0.85 HTT (0.38) HDAC8PTPN11CYP46A1MAPTKMT2A
SCHEMBL5013993 0.78 P4HB (0.34) HDAC8
SCHEMBL5015298 0.68 PRMT3 (0.35)
SCHEMBL5032126 0.68 P4HB (0.35)
SCHEMBL5014322 0.66 PIK3CD (0.34) ALDH1A1
SCHEMBL1567455 0.65 P4HB (0.31)
SCHEMBL5015618 0.65 P4HB (0.33)
SCHEMBL3012625 0.64 ALDH1A1 (0.66) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL6880333 0.64 EGFR (0.38) KMT2AUSP2ALDH1A1LMNAMEN1
SCHEMBL5032119 0.63 ATM (0.35) KMT2AMEN1SMN1; SMN2KDM4E

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-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 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-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 HDAC8 834/4885PTPN11 934/4885CYP46A1 2525/4885

“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.