SCHEMBL17996449

SCHEMBL17996449

Cc1ccc(S(=O)(=O)/N=S(/CCC/S(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ KMT2A Q03164 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ ALDH1A1 P00352 9/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CYP2C19 P33261 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ PIR O00625 1/20 0.48
▸ POLB P06746 1/20 0.42
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 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
SCHEMBL17996448 0.94 LMNA (0.80) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL17996450 0.86 LMNA (1.00) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL27986852 0.85 LMNA (0.76) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL3149489 0.84 LMNA (0.74) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL9633894 0.79 KMT2A (0.73) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL17996453 0.78 KMT2A (1.00) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL17015171 0.78 KMT2A (1.00) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL11132471 0.74 ALDH1A1 (1.00) LMNANPSR1KMT2AMEN1ALDH1A1
Toluene SCHEMBL7060116 0.74 KMT2A (0.65) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL17996451 0.73 MEN1 (0.63) LMNANPSR1KMT2AMEN1ALDH1A1

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 LMNA 2375/4885NPSR1 2453/4885KMT2A 592/4885

“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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