SCHEMBL16784068

SCHEMBL16784068

O=C1C(Cl)=C(N2CCOCC2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ CASP3 P42574 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL18253238 0.95 POLB (0.52) GAAMAPTCASP3CASP7SMN1; SMN2
SCHEMBL25168128 0.90 GAA (0.60) GAAMAPTCASP3CASP7SMN1; SMN2
SCHEMBL20302878 0.81 GAA (0.66) GAAMAPTSMN1; SMN2ALDH1A1POLB
2-Chloro-3-Morpholino-1,4-Naphthoquinone SCHEMBL29590404 0.78 NSD2 (0.67) GAAMAPTCASP3SMN1; SMN2ALDH1A1
2-Chloro-3-Morpholino-1,4-Naphthoquinone SCHEMBL197256 0.78 NSD2 (0.67) GAAMAPTCASP3SMN1; SMN2ALDH1A1
SCHEMBL21467803 0.71 RAD51 (0.53) MAPTSMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL12793245 0.71 POLB (0.88) GAASMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL5307467 0.70 POLB (0.73) GAAMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL16735251 0.70 LMNA (0.62) GAAMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL1459692 0.70 SMN1; SMN2 (0.71) GAAMAPTSMN1; SMN2ALDH1A1POLB

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
US-20160339036-A1 Compound with Anti-Cancer Properties VELGENE 3 LIMITED (HU) 2016-11-24 — — US disclosed
US-20160339036-A1 Compound with Anti-Cancer Properties VELGENE 3 LIMITED (HU) 2016-11-24 — — US disclosed
WO-2015079068-A1 COMPOUND WITH ANTI-CANCER PROPERTIES VELGENE 3 LIMITED (HU) 2015-06-04 — — 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-20160339036-A1 Compound with Anti-Cancer Properties ATG7, BECN1, SQSTM1 GAA 336/4885MAPT 316/4885CASP3 128/4885

“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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