SCHEMBL9620447

SCHEMBL9620447

CCCn1nnn(C(=O)N(c2ccccc2)C(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MLYCD O95822 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9620586 0.93 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL9620371 0.90 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8690403 0.89 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL7968296 0.85 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8550089 0.85 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8346740 0.85 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8546039 0.85 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8550504 0.84 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL7977970 0.82 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL9620432 0.82 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP claimed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP claimed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US claimed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO claimed
EP-0202929-B1 SUBSTITUTED TETRAZOLINONES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1992-01-02 EP claimed
EP-0202929-A2 Substituted tetrazolinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-26 EP claimed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO disclosed
EP-0202929-B1 SUBSTITUTED TETRAZOLINONES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1992-01-02 EP disclosed
US-4956469-A REACTION OF A TETRAZOLONE WITH AN ALKALI METAL CARBONATE FOLLOWED BY REACTION WITH A CARBAMOYL HALIDE, THESE ARE USEFUL AS HERBICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-09-11 US disclosed
US-4826529-A PLANT GROWTH REGULATORS UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-05-02 US disclosed
EP-0202929-A2 Substituted tetrazolinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-26 EP 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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 ALDH1A1 143/4885LMNA 3112/4885TP53 3289/4885

“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.