SCHEMBL3017435

SCHEMBL3017435

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
HTT P42858 2/20 0.38
EGFR P00533 2/20 0.38
OXTR P30559 3/20 0.38
AVPR1A P37288 3/20 0.38
AVPR1B P47901 3/20 0.38
ALDH1A1 P00352 1/20 0.37
NCOA1 Q15788 1/20 0.37

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
SCHEMBL3005269 0.92 MEN1 (0.38) POLBKCNJ1KCNH2MAPTLMNA
SCHEMBL3009738 0.91 OPRM1 (0.40) POLBMAPTLMNAMEN1KMT2A
SCHEMBL3004816 0.91 ALDH1A1 (0.42) POLBMAPTLMNAMEN1KMT2A
SCHEMBL3009606 0.90 RAB9A (0.41) POLBMAPTMEN1KMT2ARAB9A
SCHEMBL3019734 0.90 MEN1 (0.41) POLBKCNJ1KCNH2MAPTLMNA
SCHEMBL3000443 0.90 MAPT (0.40) POLBMAPTLMNAMEN1KMT2A
SCHEMBL3014356 0.89 RAB9A (0.41) MAPTLMNARAB9ASMN1; SMN2MMP13
SCHEMBL3021907 0.89 KMT2A (0.43) POLBMAPTMEN1KMT2ARAB9A
SCHEMBL3009842 0.88 MEN1 (0.39) POLBKCNJ1KCNH2MAPTMEN1
SCHEMBL3020215 0.88 MAPT (0.48) POLBKCNH2MAPTLMNAMEN1

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 POLB 4649/4885KCNJ1 493/4885KCNH2 3130/4885

“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.