SCHEMBL15340735

SCHEMBL15340735

CO/N=C1\CCCCc2ccc(I)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TYMS P04818 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 2/20 0.32
TDP2 O95551 1/20 0.32
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL15333708 0.77 MAPT (0.45) MAPTKDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL6767399 0.77 MAPT (0.42) MAPTKDM4EL3MBTL1ALDH1A1TYMS
SCHEMBL15340739 0.77 MAPT (0.45) MAPTKDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL24842 0.77 MAPT (0.39) MAPTALDH1A1NPC1KMT2AMEN1
SCHEMBL17190976 0.76 L3MBTL1 (0.59) MAPTL3MBTL1HPGDALDH1A1NPC1
SCHEMBL17190983 0.73 ALDH1A1 (0.56) MAPTL3MBTL1HPGDALDH1A1NPC1
SCHEMBL13167840 0.73 ALDH1A1 (0.56) MAPTL3MBTL1HPGDALDH1A1NPC1
SCHEMBL6773082 0.72 MAPT (0.43) MAPTKDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL3287587 0.71 PARP1 (0.41) MAPTKDM4ETYMSNPC1KMT2A
SCHEMBL3287590 0.71 PARP1 (0.41) MAPTKDM4ETYMSNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661426-B1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-27 EP disclosed
US-8653003-B2 Pyrazol-4-yl carboxamide derivatives as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2014-02-18 US disclosed
US-8653003-B2 Pyrazol-4-yl carboxamide derivatives as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2014-02-18 US disclosed
US-20130281505-A1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-10-24 US disclosed
US-20130281505-A1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-10-24 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-20130281505-A1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES C3AR1, CD209, CCR9 MAPT 3643/4885KDM4E 3577/4885L3MBTL1 432/4885

“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.