SCHEMBL6427089

SCHEMBL6427089

O=C1N=C(NCCC2=CCCCC2)SC1CC(=O)N1CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
ALDH1A1 P00352 8/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL6426067 0.87 KDM4E (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6427179 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1605788 0.80 TSHR (0.46) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL6428309 0.79 GRM7 (0.46) ALDH1A1SMN1; SMN2TSHRGAAKDM4E
SCHEMBL6428624 0.78 GRM7 (0.45) ALDH1A1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL6500660 0.78 TSHR (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6502545 0.78 TSHR (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6506436 0.78 TSHR (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6427597 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6508360 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 OPRM1 670/4885ALDH1A1 67/4885MEN1 979/4885

“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.