SCHEMBL7039170

SCHEMBL7039170

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 2/20 0.43
▸ CFD P00746 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MASP2 O00187 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36

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) ABCC1CFDALDH1A1MAPTKMT2A
SCHEMBL7039712 0.81 CFD (0.41) ABCC1CFDALDH1A1MAPTKMT2A
SCHEMBL7042835 0.77 CFD (0.42) ABCC1CFDALDH1A1MAPTKDM4E
SCHEMBL7035637 0.76 ALDH1A1 (0.46) CFDALDH1A1MAPTKMT2AGAA
SCHEMBL7039593 0.75 CFD (0.47) ABCC1CFDALDH1A1MAPTKDM4E
SCHEMBL7039814 0.73 ALDH1A1 (0.49) CFDALDH1A1MAPTKMT2AGAA
SCHEMBL11066551 0.73 CFD (0.42) CFDALDH1A1MAPTKDM4EKMT2A
SCHEMBL14592349 0.72 TSHR (0.54) CFDALDH1A1KDM4EPOLBLMNA
SCHEMBL27479366 0.72 CFD (0.54) CFDALDH1A1MAPTKDM4EPOLB
SCHEMBL7041010 0.71 CFD (0.43) ABCC1CFDALDH1A1MAPTKDM4E

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 ABCC1 106/4885CFD 1082/4885ALDH1A1 1119/4885

“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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