SCHEMBL3020138

SCHEMBL3020138

Cc1ccc(C)c(Cc2csc(N3CCC(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ACHE P22303 1/20 0.36
FKBP1A P62942 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GBA1 P04062 1/20 0.34
IDO1 P14902 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
DNM1L O00429 1/20 0.34

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
SCHEMBL3010711 0.92 KMT2A (0.38) KMT2AMEN1ACHEFKBP1AMAPT
SCHEMBL3018602 0.92 KMT2A (0.38) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL3007070 0.89 MEN1 (0.38) KMT2AMEN1ACHEFKBP1AMAPT
SCHEMBL3009102 0.89 KMT2A (0.40) KMT2AMEN1ACHEFKBP1AMAPT
SCHEMBL3013042 0.88 KMT2A (0.38) KMT2AMEN1ACHEFKBP1AMAPT
SCHEMBL3014468 0.88 KMT2A (0.38) KMT2AMEN1ACHEFKBP1AMAPT
SCHEMBL3019874 0.88 KMT2A (0.39) KMT2AMEN1ACHEFKBP1AMAPT
SCHEMBL3005449 0.88 KMT2A (0.38) KMT2AMEN1ACHEFKBP1AMAPT
SCHEMBL3015659 0.87 KMT2A (0.39) KMT2AMEN1ACHEFKBP1AMAPT
SCHEMBL3011496 0.87 GBA1 (0.42) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA KMT2A 2680/4885MEN1 454/4885ACHE 2411/4885

“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.