SCHEMBL834705

SCHEMBL834705

COc1ccccc1NS(=O)(=O)c1ccc(N2CCNCC2)c(NC(=O)COc2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MDM2 Q00987 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
MGAT2 Q10469 1/20 0.46

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
SCHEMBL9920137 0.79 MAPT (0.59) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6187314 0.73 HTR6 (0.78) HTR6
SCHEMBL6187103 0.72 HTR6 (0.85) HTR6
Hydrochloric Acid SCHEMBL6185720 0.72 HTR6 (0.77) HTR6
SCHEMBL834704 0.72 ALDH1A1 (0.65) LMNAKDM4EALDH1A1MDM2SMN1; SMN2
Hydrochloric Acid SCHEMBL6189713 0.72 HTR6 (0.83) HTR6
SCHEMBL6979091 0.71 HTR6 (0.79) HTR6
SCHEMBL3618100 0.70 HTR6 (0.65) HTR6KDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3621246 0.70 HTR6 (0.64) HTR6KDM4EALDH1A1KMT2AMEN1
SCHEMBL6187705 0.69 HTR6 (1.00) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 US disclosed
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 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-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 HTR6 949/4885LMNA 1170/4885KDM4E 4123/4885

“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.