SCHEMBL3014450

SCHEMBL3014450

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)n2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AVPR1B P47901 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
HSD11B1 P28845 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL3018931 0.94 KDM4E (0.39) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3012725 0.94 AVPR1B (0.40) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3002803 0.94 KDM4E (0.48) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3016776 0.94 SMN1; SMN2 (0.39) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3002775 0.94 KDM4E (0.40) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3015109 0.94 KDM4E (0.40) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3007183 0.93 ERBB2 (0.39) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3004076 0.93 KDM4E (0.38) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3021664 0.93 ERBB2 (0.40) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3012971 0.93 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2RAB9AMAPTNPC1

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 KDM4E 4398/4885SMN1; SMN2 1/4885RAB9A 2943/4885

“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.