SCHEMBL7189950

SCHEMBL7189950

O=Cc1cc([N+](=O)[O-])c2c(ccc3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ TSHR P16473 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH5A1 P51649 1/20 0.47
▸ ABAT P80404 1/20 0.47
▸ VCAM1 P19320 1/20 0.47
▸ XDH P47989 1/20 0.44
▸ CASP6 P55212 1/20 0.43
▸ CDK2 P24941 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HNF4A P41235 2/20 0.41
▸ ALDH3A1 P30838 2/20 0.41
▸ ALDH1A3 P47895 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL9670506 0.84 TDP1 (0.62) HPRT1ALDH1A1TSHRTDP1ALDH5A1
SCHEMBL11211853 0.76 ALDH1A1 (0.58) HPRT1ALDH1A1TDP1ALDH5A1ABAT
SCHEMBL348055 0.76 HPRT1 (0.67) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL4535842 0.75 ALDH1A1 (0.71) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL5175572 0.74 ALDH1A1 (0.58) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL31338905 0.74 ALDH1A1 (0.58) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL9669905 0.73 ALDH1A1 (0.58) HPRT1ALDH1A1TSHRTDP1ALDH5A1
SCHEMBL5618062 0.71 ALDH1A1 (0.54) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL29913753 0.71 ALDH1A1 (0.54) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL17063444 0.71 ALDH1A1 (0.54) HPRT1ALDH1A1TSHRTDP1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 — — EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 — — US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 — — WO 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 HPRT1 4281/4885ALDH1A1 1488/4885TSHR 4831/4885

“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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