SCHEMBL3012979

SCHEMBL3012979

Cc1ccc(C)c(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.49
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
MCOLN3 Q8TDD5 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 1/20 0.41
HSD11B1 P28845 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.40

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
SCHEMBL3651642 0.95 VCAM1 (0.45) VCAM1NPBWR1MCHR1MCOLN3CRHBP
SCHEMBL3006034 0.91 VCAM1 (0.50) VCAM1NPBWR1MCHR1MCOLN3CRHBP
SCHEMBL3005748 0.89 SMN1; SMN2 (0.45) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3018387 0.89 VCAM1 (0.52) VCAM1NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL3008605 0.88 VCAM1 (0.51) VCAM1NPBWR1MCHR1MCOLN3CRHBP
SCHEMBL3014803 0.88 HDAC3 (0.44) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3020264 0.88 VCAM1 (0.38) VCAM1NPBWR1MCHR1MCOLN3CRHBP
SCHEMBL3010663 0.88 ALDH1A1 (0.46) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3011139 0.87 VCAM1 (0.48) VCAM1NPBWR1MCHR1MCOLN3CRHBP
SCHEMBL3651838 0.87 VCAM1 (0.50) VCAM1NPBWR1MCHR1MCOLN3CRHBP

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 VCAM1 3154/4885NPBWR1 782/4885MCHR1 3574/4885

“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.