SCHEMBL1269936

SCHEMBL1269936

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.58
TSHR P16473 6/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 5/20 0.51
PKM P14618 3/20 0.51
KMT2A Q03164 4/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 2/20 0.50
ALOX15 P16050 1/20 0.50
POLB P06746 4/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL12897363 0.88 GPR119 (0.53) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL1047546 0.86 ALDH1A1 (0.52) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL27975293 0.85 ALDH1A1 (0.52) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL12997355 0.84 ALDH1A1 (0.62) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL1047433 0.81 ALDH1A1 (0.45) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL1269920 0.78 ALDH1A1 (0.45) ALDH1A1TSHRLMNASMN1; SMN2TDP1
Tert-Butyl Formate SCHEMBL27975294 0.77 ALDH1A1 (0.52) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL1270531 0.77 PRNP (0.43) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL27974967 0.75 ALDH1A1 (0.47) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL27974955 0.74 ALDH1A1 (0.43) ALDH1A1TSHRLMNASMN1; 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 3 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
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-02-24 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 (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 693/4885TSHR 243/4885LMNA 2081/4885
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG ALDH1A1 693/4885TSHR 243/4885LMNA 2081/4885
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG ALDH1A1 693/4885TSHR 243/4885LMNA 2081/4885

“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.