SCHEMBL1223219

SCHEMBL1223219

Ic1nnnn1C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL22113418 0.74 TSHR (0.50) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL20816366 0.72 TSHR (0.53) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL1013139 0.72 TSHR (0.53) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL16426472 0.72 TSHR (0.53) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL9204597 0.72 ALDH1A1 (0.63) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL13997161 0.71 L3MBTL1 (0.59) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL5835202 0.71 TSHR (0.51) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL9204714 0.70 ALDH1A1 (0.59) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL31399939 0.70 TSHR (0.46) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL23136905 0.69 ALDH1A1 (0.60) TSHRALDH1A1L3MBTL1MEN1KMT2A

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-7884118-B2 such as 1-Cyclopentyl-5-iodotetrazole, suitable as microbicides for protecting plants and materials LANXESS DEUTSCHLAND GMBH (DE) 2011-02-08 US disclosed
US-20090042960-A1 1-Cycloalkyl-5-Iodotetrazoles LANXESS DEUTSCHLAND GMBH (DE) 2009-02-12 US disclosed
EP-1904464-A1 1-CYCLOALKYL-5-IODOTETRAZOLES Lanxess Deutschland GmbH (DE) 2008-04-02 EP disclosed
WO-2007025586-A1 1-CYCLOALKYL-5-IODOTETRAZOLES LANXESS DEUTSCHLAND GMBH (DE) 2007-03-08 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-20090042960-A1 1-Cycloalkyl-5-Iodotetrazoles MSR1, CYP51A1, MCL1 TSHR 2708/4885ALDH1A1 314/4885MAPT 3582/4885

“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.