SCHEMBL3022002

SCHEMBL3022002

Cc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GBA1 P04062 1/20 0.36
DNM1L O00429 5/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL3014468 0.93 KMT2A (0.38) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3013538 0.92 KMT2A (0.40) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL2997684 0.91 GBA1 (0.43) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3013484 0.90 KMT2A (0.39) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3009606 0.89 RAB9A (0.41) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3023212 0.89 KMT2A (0.42) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3000443 0.89 MAPT (0.40) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3011898 0.89 MEN1 (0.39) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3007012 0.88 GBA1 (0.38) RAB9AMAPTSMN1; SMN2GBA1DNM1L
SCHEMBL3016421 0.88 GBA1 (0.38) MEN1NPC1POLBRAB9AKMT2A

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 NPBWR1 782/4885MCHR1 3574/4885MEN1 454/4885

“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.