SCHEMBL3016879

SCHEMBL3016879

Cc1cc(C)cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL3650659 0.93 HCRTR1 (0.35) HCRTR1HCRTR2ABL1RIN1LPAR1
SCHEMBL3014308 0.93 ABL1 (0.38) ABL1RIN1LPAR1LPAR2MEN1
SCHEMBL3016917 0.92 TRPV4 (0.37) ABL1RIN1LPAR1LPAR2MEN1
SCHEMBL3023052 0.90 TRPV4 (0.38) ABL1RIN1LPAR1LPAR2MEN1
SCHEMBL3018571 0.90 TRPV4 (0.45) LPAR1LPAR2MEN1KMT2ACNR1
SCHEMBL3017779 0.90 HCRTR1 (0.37) HCRTR1HCRTR2ABL1RIN1LPAR1
SCHEMBL3003958 0.89 LPAR1 (0.37) ABL1RIN1LPAR1LPAR2MEN1
SCHEMBL3002727 0.89 SMN1; SMN2 (0.41) ABL1RIN1LPAR1LPAR2MEN1
SCHEMBL3017948 0.89 THRB (0.40) ABL1RIN1LPAR1LPAR2MEN1
SCHEMBL3115852 0.89 ALDH1A1 (0.43) MEN1KMT2APKMCNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
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 HCRTR1 2170/4885HCRTR2 1972/4885ABL1 3417/4885

“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.