SCHEMBL1047433

SCHEMBL1047433

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(CSc3nnnn3-c3ccccc3)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.45
LMNA P02545 4/20 0.45
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
PKM P14618 3/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR1 P32246 1/20 0.39

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
SCHEMBL1269920 0.92 ALDH1A1 (0.45) ALDH1A1LMNATSHRSMN1; SMN2TDP1
SCHEMBL1047445 0.87 GAA (0.39) ALDH1A1TSHRSMN1; SMN2GAAKDM4E
SCHEMBL1046420 0.87 GAA (0.40) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL27974967 0.86 ALDH1A1 (0.47) ALDH1A1LMNATSHRSMN1; SMN2TDP1
SCHEMBL27974955 0.84 ALDH1A1 (0.43) ALDH1A1LMNATSHRSMN1; SMN2TDP1
SCHEMBL1045128 0.82 GAA (0.42) TSHRMAPTGAAKDM4EPOLB
SCHEMBL1269936 0.81 ALDH1A1 (0.58) ALDH1A1LMNATSHRSMN1; SMN2TDP1
SCHEMBL1775261 0.81 POLB (0.46) ALDH1A1LMNATSHRHPGDKMT2A
SCHEMBL13523714 0.80 GAA (0.50) ALDH1A1LMNATSHRHPGDGAA
SCHEMBL12897363 0.79 GPR119 (0.53) ALDH1A1LMNATSHRSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
EP-2445907-A1 THIAZOLYLPIPERIDINE DERIVATES AS FUNGICIDES Bayer Cropscience AG (DE) 2012-05-02 EP disclosed
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
EP-2272846-A1 Thiazolylpiperidine derivatives as fungicide Bayer CropScience AG (DE) 2011-01-12 EP disclosed
WO-2010149275-A1 THIAZOLYLPIPERIDINE DERIVATES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-12-29 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-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG ALDH1A1 693/4885LMNA 2081/4885TSHR 243/4885
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG ALDH1A1 693/4885LMNA 2081/4885TSHR 243/4885
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG ALDH1A1 693/4885LMNA 2081/4885TSHR 243/4885

“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.