SCHEMBL7042835

SCHEMBL7042835

CC#CN(C)C(=S)Nc1ccccc1CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.42
▸ GAA P10253 2/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ ABCC1 P33527 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL7039813 0.84 MASP2 (0.54) CFDGAAMASP2ALDH1A1ABCC1
SCHEMBL7039712 0.79 CFD (0.41) CFDGAAMASP2ALDH1A1ABCC1
SCHEMBL7039170 0.77 ABCC1 (0.43) CFDGAAMASP2ALDH1A1ABCC1
SCHEMBL7035637 0.76 ALDH1A1 (0.46) CFDGAAALDH1A1MAPTLMNA
SCHEMBL7039593 0.76 CFD (0.47) CFDGAAMASP2ALDH1A1ABCC1
SCHEMBL7039814 0.74 ALDH1A1 (0.49) CFDGAAALDH1A1MAPTLMNA
SCHEMBL27479366 0.73 CFD (0.54) CFDGAAALDH1A1MAPTLMNA
SCHEMBL14592349 0.73 TSHR (0.54) CFDALDH1A1LMNAKDM4EHPGD
SCHEMBL11989069 0.73 KDM4E (0.50) CFDALDH1A1MAPTLMNAKMT2A
SCHEMBL7041010 0.72 CFD (0.43) CFDGAAALDH1A1ABCC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 — — US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 — — 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 CFD 1082/4885GAA 3931/4885MASP2 3929/4885

“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.

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