SCHEMBL4368371

SCHEMBL4368371

NCCOc1cc(OCCN)cc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.46
PRSS1 P07477 3/20 0.43
PLAU P00749 2/20 0.43
PLA2G2A P14555 2/20 0.43
F2 P00734 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 1/20 0.42
PARP1 P09874 1/20 0.39
KMT2A Q03164 2/20 0.38
PARP15 Q460N3 2/20 0.38
PARP14 Q460N5 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP16 Q8N5Y8 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
ESR1 P03372 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL25724576 0.96 PARP10 (0.46) PARP10PRSS1PLAUPLA2G2AF2
SCHEMBL5036891 0.90 PLA2G2A (0.46) PARP10PRSS1PLA2G2AF2PRSS2
SCHEMBL2188463 0.84 PLA2G2A (0.61) PLAUPLA2G2ATAAR1TSHRKMT2A
SCHEMBL14536663 0.82 L3MBTL1 (0.48) PLAUPLA2G2ATAAR1KMT2AALDH1A1
SCHEMBL6836738 0.82 PLA2G2A (0.54) PARP10PRSS1PLA2G2AF2PRSS2
SCHEMBL19732841 0.82 PARP1 (0.59) PARP10PRSS1F2PRSS2PRSS3
SCHEMBL17414620 0.81 PLA2G2A (0.62) PARP10PLA2G2ATSHR
SCHEMBL6122034 0.80 PARP10 (0.70) PARP10PRSS1TAAR1PARP1KMT2A
SCHEMBL13411802 0.80 TAAR1 (0.59) PLAUPLA2G2ATAAR1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL12502964 0.78 PARP10 (0.68) PARP10PRSS1TAAR1PARP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111236-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-10-28 EP claimed
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 US claimed
WO-2008087017-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 WO claimed
EP-2111236-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-10-28 EP disclosed
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
WO-2008087017-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 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 (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-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PGF, F13A1, F11 PARP10 120/4885PRSS1 2296/4885PLAU 1915/4885

“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.