SCHEMBL3018703

SCHEMBL3018703

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NR1I2 O75469 1/20 0.35
MCHR1 Q99705 1/20 0.34
HPGD P15428 1/20 0.34
AVPR1B P47901 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL3020251 0.91 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CRHBPCRHR2NR1I2
SCHEMBL3014450 0.91 KDM4E (0.41) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3016776 0.90 SMN1; SMN2 (0.39) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3013502 0.90 SMN1; SMN2 (0.39) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3022985 0.90 KDM4E (0.37) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3014222 0.90 MAPT (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3012971 0.90 SMN1; SMN2 (0.41) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3014690 0.89 HSD11B1 (0.41) RAB9ANPC1SMN1; SMN2MAPTAVPR1B
SCHEMBL3009878 0.88 HSD11B1 (0.36) RAB9ASMN1; SMN2MAPTNR1I2
SCHEMBL3013307 0.87 KDM4E (0.40) RAB9AKDM4EALDH1A1SMN1; SMN2CYP3A4

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 15/4885KDM4E 4398/4885

“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.