SCHEMBL17996451

SCHEMBL17996451

C=C/S(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ ALDH1A1 P00352 6/20 0.58
▸ LMNA P02545 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CYP2C19 P33261 1/20 0.51
▸ PIR O00625 1/20 0.45
▸ C5AR1 P21730 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39

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
SCHEMBL9633894 0.79 KMT2A (0.73) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL17996453 0.78 KMT2A (1.00) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL17015171 0.78 KMT2A (1.00) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL17996448 0.75 LMNA (0.80) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL17996450 0.74 LMNA (1.00) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL11132471 0.74 ALDH1A1 (1.00) MEN1KMT2AALDH1A1LMNAKDM4E
Toluene SCHEMBL7060116 0.74 KMT2A (0.65) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL17996449 0.73 LMNA (0.76) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL27986852 0.73 LMNA (0.76) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3149489 0.72 LMNA (0.74) MEN1KMT2AALDH1A1LMNAKDM4E

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-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-08-11 — — 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-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS DBH, DDT, CBR3 MEN1 3342/4885KMT2A 592/4885ALDH1A1 985/4885

“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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