SCHEMBL601403

SCHEMBL601403

NNC(=O)COC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 4/20 0.41
EPHX1 P07099 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CTSD P07339 1/20 0.32
KDM5C P41229 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CETP P11597 1/20 0.32
OGG1 O15527 1/20 0.32

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
SCHEMBL21378728 0.96 ATF4 (0.41) ATF4EPHX1NPSR1PRMT5WDR77
SCHEMBL21617359 0.82 PRMT5 (0.39) ATF4PRMT5WDR77ALDH1A1KDM4E
SCHEMBL9278509 0.79 ATF4 (0.41) ATF4EPHX1NPSR1PRMT5WDR77
SCHEMBL17658469 0.76 NPSR1 (0.59) EPHX1NPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL20345730 0.76 ATF4 (0.47) ATF4PRMT5WDR77ALDH1A1KDM4E
SCHEMBL22224283 0.76 PRMT5 (0.39) ATF4EPHX1NPSR1PRMT5WDR77
SCHEMBL28529903 0.76 ATF4 (0.47) ATF4PRMT5WDR77ALDH1A1KDM4E
SCHEMBL6120762 0.76 HTT (0.40) ATF4EPHX1HTT
SCHEMBL16373919 0.75 ATF4 (0.42) ATF4EPHX1NPSR1PRMT5WDR77
SCHEMBL11084659 0.74 MEN1 (0.41) NPSR1ALDH1A1KDM4ELMNASMN1; SMN2

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
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 ATF4 1715/4885EPHX1 1215/4885NPSR1 3303/4885

“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.