SCHEMBL9536249

SCHEMBL9536249

Cc1csc(NCCN2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
PLAU P00749 1/20 0.48
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CG P48736 1/20 0.42
TOP2A P11388 1/20 0.42
POLB P06746 2/20 0.42
ACHE P22303 2/20 0.40
DHFR P00374 1/20 0.40
EGFR P00533 1/20 0.40
NPY5R Q15761 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 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
Oxalic Acid SCHEMBL9536039 0.92 KDM4E (0.66) KDM4EHSD17B10USP2ALOX15PLAU
SCHEMBL13763209 0.85 PIK3CG (0.56) KDM4EHSD17B10PLAUMEN1KMT2A
SCHEMBL12894447 0.81 PLAU (0.46) KDM4EHSD17B10USP2ALOX15PLAU
SCHEMBL9715442 0.77 DHFR (0.50) KDM4EHSD17B10USP2ALOX15PLAU
SCHEMBL10473121 0.77 SMN1; SMN2 (0.57) KDM4EHSD17B10PLAURAB9ANPC1
SCHEMBL9537766 0.76 NPC1 (0.61) KDM4EHSD17B10ALOX15PLAURAB9A
SCHEMBL12597147 0.73 RAB9A (0.54) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL13026579 0.73 RAB9A (0.51) KDM4EHSD17B10USP2ALOX15RAB9A
SCHEMBL9536296 0.72 HRH3 (0.46) ALDH1A1
SCHEMBL15286383 0.72 RAB9A (0.53) RAB9ANPC1MEN1KMT2AALDH1A1

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed
US-7803944-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-28 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 KDM4E 3438/4885HSD17B10 910/4885USP2 2738/4885

“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.