SCHEMBL4986913

SCHEMBL4986913

NCCCCc1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.46
DYRK2 Q92630 1/20 0.46
TAAR1 Q96RJ0 1/20 0.40
TLR8 Q9NR97 4/20 0.39
PDE5A O76074 1/20 0.38
FERMT2 Q96AC1 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MPO P05164 1/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
EGFR P00533 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ABL1 P00519 2/20 0.33
PDGFRB P09619 2/20 0.33

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
SCHEMBL10751880 0.74 FERMT2 (0.60) FERMT2ALDH1A1KDM4EMAPT
SCHEMBL243787 0.73 NR4A2 (0.47) HASPINDYRK2PDE5AALDH1A1KDM4E
SCHEMBL4870416 0.73 LOXL2 (0.65) TLR8FERMT2LOXL2SMN1; SMN2MAPT
SCHEMBL12978396 0.72 ALDH1A1 (0.40) PDE5AALDH1A1KDM4EPOLBLMNA
SCHEMBL14157416 0.72 LOXL2 (0.62) TLR8FERMT2LOXL2MAPTHRH1
SCHEMBL10757258 0.72 LOXL2 (0.62) TLR8FERMT2LOXL2MAPTHRH1
SCHEMBL10752255 0.72 LOXL2 (0.62) TLR8FERMT2LOXL2MAPTHRH1
SCHEMBL8079709 0.71 FERMT2 (0.58) HASPINDYRK2TLR8FERMT2
SCHEMBL241568 0.70 LMNA (0.44) PDE5AALDH1A1KDM4EPOLBMPO
SCHEMBL12978384 0.70 ALDH1A1 (0.43) HASPINDYRK2PDE5AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468366-B2 Cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-12-23 US disclosed
EP-1453812-B1 CYTOTOXIC AGENTS UNIV RUTGERS (US) 2008-08-20 EP disclosed
US-20080090831-A1 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-04-17 US disclosed
US-7319105-B2 Methylenedioxy-fused heterocycles, especially 8,10-dioxa-4,5,6,12-tetraaza-cyclopenta[b]chrysen-13-ones; 8,10-dioxa-1,4,5,6,12-pentaaza-cyclopenta[b]chrysen-13-ones; 8,10,12-trioxa-5,6-diaza-cyclopenta[b]chrysenes; and 8,10,12-trioxa-6-aza-cyclopenta[b]chrysenes; topoisomerase inhibitors; treating cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-01-15 US disclosed
US-20050009825-A1 Cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2005-01-13 US disclosed
EP-1453812-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2004-09-08 EP disclosed
WO-2003041653-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO 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 (2 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-20050009825-A1 Cytotoxic agents TOP1, TOP2A, TOP2B HASPIN 2629/4885DYRK2 3972/4885TAAR1 4849/4885
US-20080090831-A1 CYTOTOXIC AGENTS TOP1, TOP2A, TOP2B HASPIN 2629/4885DYRK2 3972/4885TAAR1 4849/4885

“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.