SCHEMBL2321185

SCHEMBL2321185

CCC(=O)c1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 4/20 0.44
ATM Q13315 1/20 0.40
MMP2 P08253 2/20 0.39
MMP12 P39900 2/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.38
PGR P06401 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37

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
SCHEMBL21484847 0.84 GSK3B (0.56) MMP2MMP12GSK3B
SCHEMBL10412424 0.81 MAPT (0.52) SMN1; SMN2MAPTL3MBTL1RAB9AATM
SCHEMBL8049735 0.81 ALDH1A1 (0.43) SMN1; SMN2MAPTRAB9AHPGDMEN1
SCHEMBL19707521 0.80 GSK3B (0.43) SMN1; SMN2MAPTL3MBTL1RAB9AATM
SCHEMBL9636621 0.79 HPGD (0.47) SMN1; SMN2MAPTL3MBTL1RAB9AHPGD
SCHEMBL6036758 0.79 RARB (0.55) SMN1; SMN2HPGDALDH1A1
SCHEMBL19543261 0.79 MAPT (0.50) SMN1; SMN2MAPTL3MBTL1RAB9AATM
SCHEMBL1348968 0.78 CA12 (0.54) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL25093690 0.78 NOS1 (0.44) SMN1; SMN2MAPTL3MBTL1KMT2AALDH1A1
SCHEMBL12692232 0.78 SMN1; SMN2 (0.63) SMN1; SMN2MAPTL3MBTL1RAB9AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658644-B2 Pyridazine derivatives, processes for their preparation and their use as fungicides SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
EP-2531491-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2012-12-12 EP disclosed
US-20120295876-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-11-22 US disclosed
WO-2011095461-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-11 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-20120295876-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP4F3, CYP4F2 SMN1; SMN2 4405/4885MAPT 4335/4885L3MBTL1 2698/4885

“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.