SCHEMBL18253238

SCHEMBL18253238

O=C1C(Cl)=C(N2CCCCC2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GAA P10253 3/20 0.51
▸ MPI P34949 2/20 0.48
▸ PHOSPHO1 Q8TCT1 2/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ PMM2 O15305 1/20 0.47
▸ G6PD P11413 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CASP7 P55210 1/20 0.47

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
SCHEMBL16784068 0.95 GAA (0.53) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL25168128 0.87 GAA (0.60) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL20302878 0.79 GAA (0.66) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL3405913 0.76 USP2 (0.66) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL54427 0.76 USP2 (0.66) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL3406366 0.76 USP2 (0.66) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL3407424 0.76 USP2 (0.66) POLBMAPTALDH1A1KDM4EHPGD
2-Chloro-3-Morpholino-1,4-Naphthoquinone SCHEMBL29590404 0.73 NSD2 (0.67) POLBMAPTALDH1A1KDM4EHPGD
2-Chloro-3-Morpholino-1,4-Naphthoquinone SCHEMBL197256 0.73 NSD2 (0.67) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL10446114 0.73 NSD2 (0.71) POLBMAPTALDH1A1HPGDSMN1; SMN2

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 1 patent. 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

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 POLB 3675/4885MAPT 316/4885ALDH1A1 2315/4885

“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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