SCHEMBL2997895

SCHEMBL2997895

O=[N+]([O-])c1cccc(S(=O)(=O)C2CCN(c3nc(Cc4ccccc4)cs3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
APEX1 P27695 1/20 0.41
DNM1L O00429 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ACHE P22303 1/20 0.39
HTR2A P28223 2/20 0.39
GBA1 P04062 2/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3017166 0.92 ACHE (0.40) ALDH1A1APEX1DNM1LMEN1KMT2A
SCHEMBL3000721 0.92 PIK3CD (0.40) ALDH1A1DNM1LMEN1KMT2ASMN1; SMN2
SCHEMBL3013737 0.92 KDM1A (0.42) ALDH1A1DNM1LMEN1KMT2ASMN1; SMN2
SCHEMBL3009102 0.92 KMT2A (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3014468 0.91 KMT2A (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3010254 0.91 KDM1A (0.39) ALDH1A1DNM1LMEN1KMT2ASMN1; SMN2
SCHEMBL3023212 0.91 KMT2A (0.42) ALDH1A1DNM1LMEN1KMT2ASMN1; SMN2
SCHEMBL3016745 0.91 ACHE (0.39) ALDH1A1DNM1LMEN1KMT2ASMN1; SMN2
SCHEMBL3015659 0.90 KMT2A (0.39) ALDH1A1DNM1LMEN1KMT2ASMN1; SMN2
SCHEMBL3007212 0.90 LMNA (0.36) ALDH1A1DNM1LMEN1KMT2ASMN1; 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 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 ALDH1A1 3510/4885APEX1 4190/4885DNM1L 180/4885

“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.