SCHEMBL6427333

SCHEMBL6427333

O=C(CC1SC(NCC2CCCCC2)=NC1=O)NCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
RECQL P46063 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MDM2 Q00987 1/20 0.38
EPHX1 P07099 2/20 0.38
HPGD P15428 2/20 0.37
CNR1 P21554 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL6504719 0.88 HPGD (0.49) ALDH1A1RAB9ANPC1RECQLSMN1; SMN2
SCHEMBL1605522 0.87 KDM4C (0.38) ALDH1A1L3MBTL1RECQLMAPTHTT
SCHEMBL6428725 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1RAB9ANPC1RECQL
SCHEMBL6427385 0.82 TSHR (0.47) ALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL6427044 0.82 TSHR (0.47) ALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL6503596 0.82 TSHR (0.47) ALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL6498178 0.81 EPHX1 (0.40) ALDH1A1RAB9ANPC1LMNAEPHX1
SCHEMBL6498171 0.81 EPHX1 (0.40) ALDH1A1RAB9ANPC1LMNAEPHX1
SCHEMBL6393753 0.81 SLC6A2 (0.35) ALDH1A1L3MBTL1RECQLLMNAHTT
SCHEMBL6427445 0.79 NPC1 (0.49) ALDH1A1L3MBTL1RAB9ANPC1

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-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

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 ALDH1A1 67/4885L3MBTL1 4470/4885RAB9A 2649/4885

“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.