SCHEMBL3019544

SCHEMBL3019544

COc1ccccc1-c1csc(N2CCC(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
AR P10275 2/20 0.44
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.40
FAAH O00519 1/20 0.40
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EIF4E P06730 1/20 0.39

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
SCHEMBL3018960 0.91 SMN1; SMN2 (0.44) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL3016521 0.89 AR (0.54) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL3010419 0.89 MAPT (0.52) NPC1RAB9AKMT2AARMAPT
SCHEMBL3011242 0.89 AR (0.47) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL3013016 0.89 REV1 (0.49) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL3014915 0.89 AR (0.46) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL3010988 0.88 AR (0.46) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL3007269 0.88 AR (0.46) NPC1RAB9AMEN1KMT2AAR
SCHEMBL3016022 0.88 NPC1 (0.48) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL3001893 0.86 AR (0.45) NPC1RAB9AMEN1KMT2AAR

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 NPC1 15/4885RAB9A 2943/4885MEN1 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.