SCHEMBL17536323

SCHEMBL17536323

COc1ccc(N(C(=O)CCl)C(N)=S)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PAX8 Q06710 1/20 0.37
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MITF O75030 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ RNF4 P78317 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL17536300 0.76 HPGD (0.47) ALDH1A1HTTPAX8HPGDMAPT
SCHEMBL17536328 0.75 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2PAX8MAPT
SCHEMBL17536308 0.71 HCRTR1 (0.38) ALDH1A1HTTSMN1; SMN2PAX8HPGD
SCHEMBL3604278 0.70 POLB (0.42) HTTSMN1; SMN2KEAP1NFE2L2MEN1
SCHEMBL8809964 0.69 KMT2A (0.43) ALDH1A1HTTSMN1; SMN2KEAP1NFE2L2
SCHEMBL2205243 0.68 LMNA (0.48) ALDH1A1HTTSMN1; SMN2KEAP1NFE2L2
SCHEMBL17536294 0.68 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2PAX8MAPT
SCHEMBL14925281 0.66 KMT2A (0.46) ALDH1A1HTTSMN1; SMN2KEAP1NFE2L2
SCHEMBL17536348 0.66 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2PAX8MEN1
SCHEMBL11701062 0.66 PAX8 (0.44) ALDH1A1HTTSMN1; SMN2PAX8HPGD

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-9469617-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-10-18 — — US disclosed
US-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 — — 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 (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-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 238/4885HTT 4155/4885SMN1; SMN2 3702/4885

“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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