SCHEMBL3000461

SCHEMBL3000461

Cc1cc(C)cc(Cc2csc(N3CCC(S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)CC3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 18/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3013912 0.90 DNM1L (0.37) DNM1LNPC1RAB9ASMN1; SMN2
SCHEMBL3009601 0.90 SMN1; SMN2 (0.39) DNM1LHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL3018251 0.90 HRH3 (0.34) DNM1LHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL3002261 0.90 DNM1L (0.38) DNM1LHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL3012860 0.89 AR (0.41) DNM1LHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL3014371 0.89 DNM1L (0.36) DNM1LHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL3013010 0.89 MAPT (0.33) DNM1LHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL3019726 0.88 DNM1L (0.38) DNM1LHRH3
SCHEMBL3012509 0.87 DNM1L (0.34) DNM1LHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL2997827 0.87 F2RL3 (0.38) HRH3RAB9ASMN1; 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 DNM1L 180/4885HRH3 2846/4885NPC1 15/4885

“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.