SCHEMBL3013538

SCHEMBL3013538

Cc1cc(C)cc(Cc2csc(N3CCC(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
DNM1L O00429 6/20 0.36
GBA1 P04062 1/20 0.36
F2 P00734 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SPHK1 Q9NYA1 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
SCHEMBL3022002 0.92 NPBWR1 (0.38) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3009606 0.92 RAB9A (0.41) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3015659 0.91 KMT2A (0.39) KMT2AMEN1MAPTSMN1; SMN2DNM1L
SCHEMBL3016061 0.90 GBA1 (0.43) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3006799 0.90 KMT2A (0.39) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3012503 0.90 MAPT (0.43) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3011898 0.89 MEN1 (0.39) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3000716 0.89 POLB (0.40) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3005269 0.88 MEN1 (0.38) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3019734 0.88 MEN1 (0.41) KMT2AMEN1POLBNPC1RAB9A

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 454/4885POLB 4649/4885

“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.