SCHEMBL3181504

SCHEMBL3181504

Cc1cccc(S(=O)(=O)NC(C)C)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TSHR P16473 4/20 0.47
▸ ALDH3A1 P30838 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ KAT2B Q92831 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37

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
SCHEMBL6238856 0.81 ALDH1A1 (0.56) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL9225490 0.77 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4ELMNASLC1A3
SCHEMBL9652726 0.77 ALDH1A1 (0.64) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL9001208 0.77 SLC1A3 (0.55) ALDH1A1TDP1SMN1; SMN2KDM4ELMNA
SCHEMBL27339112 0.77 MEN1 (0.55) ALDH1A1TDP1TSHRKDM4ELMNA
SCHEMBL1027277 0.76 CA1 (0.63) ALDH1A1TDP1SMN1; SMN2LMNAGAA
SCHEMBL23175141 0.76 ALDH1A1 (0.62) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL3192320 0.76 ALDH1A1 (0.62) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL7515257 0.76 ALDH1A1 (0.62) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL11749464 0.76 ALDH1A1 (0.62) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674936-B2 Ortho-substituted aryl amides for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-09 — — US disclosed
CN-100528862-C Ortho-substituted aryl amide compounds for controlling invertebrate pests DU PONT (US) 2009-08-19 — — CN disclosed
EP-1423379-B1 ORTHO-SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2008-05-28 — — EP disclosed
US-7288554-B2 Ortho-substituted aryl amides for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-30 — — US disclosed
US-20070249832-A1 Ortho-substituted aryl amides for controlling invertebrate pests FMC CORPORATION 2007-10-25 — — US disclosed
CN-1865258-A Ortho-substituted aryl amides for controlling invertebrate pests DU PONT (US) 2006-11-22 — — CN disclosed
CN-1549811-A Ortho-substituted aryl amide compounds for controlling invertebrate pests ��Ļ���Ű˾ 2004-11-24 — — CN disclosed
US-20040192731-A1 Ortho-substituted aryl amides for controlling invertebrate pests E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 — — 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 (2 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-20040192731-A1 Ortho-substituted aryl amides for controlling invertebrate pests DDT, ACHE, CBR1 ALDH1A1 819/4885TDP1 2975/4885TSHR 1430/4885
US-20070249832-A1 Ortho-substituted aryl amides for controlling invertebrate pests NR2C2, GRK6, NR0B2 ALDH1A1 3071/4885TDP1 4686/4885TSHR 280/4885

“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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