SCHEMBL2997894

SCHEMBL2997894

Cc1cccc(C)c1-c1csc(N2CCC(S(=O)(=O)c3cccc(Br)c3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 11/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC25A P30304 1/20 0.41
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3007689 0.94 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3017311 0.90 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3018817 0.90 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3019194 0.89 AR (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3012951 0.88 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3020255 0.88 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPK1CYP1A2
SCHEMBL3008334 0.87 PTPN1 (0.46) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3018530 0.87 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3010949 0.87 RAB9A (0.45) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3016185 0.87 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 RAB9A 2943/4885NPC1 15/4885SMN1; SMN2 1/4885

“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.