SCHEMBL4172197

SCHEMBL4172197

COC(=O)c1ccc(/C=N/Nc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.70
KMT2A Q03164 9/20 0.70
GAA P10253 9/20 0.70
KDM4E B2RXH2 4/20 0.70
NOX1 Q9Y5S8 2/20 0.62
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 7/20 0.59
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 6/20 0.58
HPGD P15428 4/20 0.58
HTT P42858 1/20 0.57
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL4172201 1.00 MAPT (0.70) MAPTKMT2AGAAKDM4ENOX1
SCHEMBL4747962 0.94 CA1 (0.64) MAPTKMT2AGAAKDM4ENOX1
SCHEMBL4747964 0.94 CA1 (0.64) MAPTKMT2AGAAKDM4ENOX1
SCHEMBL2681914 0.84 RAB9A (0.74) MAPTKMT2AGAAKDM4ENOX1
SCHEMBL15972775 0.84 MAPT (0.59) MAPTKMT2AGAAKDM4ERAB9A
SCHEMBL15972778 0.84 MAPT (0.59) MAPTKMT2AGAAKDM4ERAB9A
SCHEMBL23928498 0.82 MAPT (0.50) MAPTKMT2AGAAKDM4ENOX1
SCHEMBL16039805 0.81 RAB9A (0.62) MAPTKMT2AGAAKDM4ERAB9A
SCHEMBL16039803 0.81 RAB9A (0.62) MAPTKMT2AGAAKDM4ERAB9A
SCHEMBL2644905 0.81 CYP1A2 (0.71) MAPTKMT2AGAAKDM4ECA1

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-20160032257-A1 AGENT AND METHOD FOR MODIFYING THE 5' CAP OF RNA UNIVERSITAET HAMBURG (DE) 2016-02-04 US disclosed
US-20160032257-A1 AGENT AND METHOD FOR MODIFYING THE 5' CAP OF RNA UNIVERSITAET HAMBURG (DE) 2016-02-04 US disclosed
WO-2014090246-A1 AGENT AND METHOD FOR MODIFYING THE 5' CAP OF RNA UNIVERSITÄT HAMBURG (DE) 2014-06-19 WO disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 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-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles CYP3A4, CYP4B1, CYP2E1 MAPT 1343/4885KMT2A 3690/4885GAA 4410/4885

“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.