SCHEMBL1925657

SCHEMBL1925657

COc1cc(OC)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 8/20 0.48
HPGD P15428 5/20 0.48
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 2/20 0.41
HTR6 P50406 1/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL9236876 0.82 PTK2 (0.46) MEN1MAPTKMT2ALMNATDP1
SCHEMBL13996081 0.80 ALDH1A1 (0.51) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL4505416 0.80 PTGS2 (0.41) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL8571762 0.80 RAB9A (0.50) MEN1KMT2ALMNATDP1L3MBTL1
SCHEMBL27517425 0.79 NPC1 (0.55) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL4883417 0.78 MKNK1 (0.59) KDM4EALDH1A1POLB
SCHEMBL8425035 0.78 MEN1 (0.62) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL21882428 0.77 L3MBTL1 (0.55) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL3538505 0.76 L3MBTL1 (0.40) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL2041874 0.76 RXRA (0.54) LMNAKDM4ETDP1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-7956185-B2 Cyclobut-3-ene-1,2,-dione inhibitors of polo-like kinases ABBOTT LABORATORIES (US) 2011-06-07 US disclosed
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
US-20080015192-A1 INHIBITORS OF POLO-LIKE KINASES ABBVIE INC. 2008-01-17 US disclosed
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 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 (3 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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 MEN1 4427/4885MAPT 4739/4885KMT2A 1119/4885
US-20080015192-A1 INHIBITORS OF POLO-LIKE KINASES PLK1, PLK2, BUB1B MEN1 2578/4885MAPT 1027/4885KMT2A 2251/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 MEN1 4809/4885MAPT 4590/4885KMT2A 3656/4885

“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.