SCHEMBL7039712

SCHEMBL7039712

C#CCN(C)C(=S)Nc1ccccc1CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.41
▸ ABCC1 P33527 3/20 0.41
▸ GAA P10253 2/20 0.38
▸ MASP2 O00187 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 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 0.83 MASP2 (0.54) CFDABCC1GAAMASP2ALDH1A1
SCHEMBL7039170 0.81 ABCC1 (0.43) CFDABCC1GAAMASP2ALDH1A1
SCHEMBL7042835 0.79 CFD (0.42) CFDABCC1GAAMASP2ALDH1A1
SCHEMBL7035637 0.76 ALDH1A1 (0.46) CFDGAAALDH1A1KMT2ALMNA
SCHEMBL7039593 0.75 CFD (0.47) CFDABCC1GAAMASP2ALDH1A1
SCHEMBL7039814 0.73 ALDH1A1 (0.49) CFDGAAALDH1A1KMT2ALMNA
SCHEMBL27479366 0.72 CFD (0.54) CFDGAAALDH1A1LMNAMAPT
SCHEMBL14592349 0.72 TSHR (0.54) CFDALDH1A1LMNA
SCHEMBL7041010 0.71 CFD (0.43) CFDABCC1GAAALDH1A1KMT2A
SCHEMBL7040734 0.70 CFD (0.50) CFDGAAALDH1A1KMT2ALMNA

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 1082/4885ABCC1 106/4885GAA 3931/4885

“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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