SCHEMBL6427832

SCHEMBL6427832

CC1(C)C(NC2=NC(=O)C(CCNc3ccccc3)S2)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
DRD4 P21917 1/20 0.32
MAN1B1 Q9UKM7 1/20 0.31
ICMT O60725 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6427826 0.83 KMT2A (0.45) ALDH1A1MAPT
Bromide SCHEMBL6508115 0.82 GLA (0.36) ALDH1A1MAPTDRD4MAN1B1
SCHEMBL6498400 0.81 EPHX1 (0.43) ALDH1A1MAPT
SCHEMBL6428875 0.81 GBA1 (0.34) ALDH1A1MAPTMAN1B1TDP1
Bromide SCHEMBL6426590 0.80 EPHX1 (0.43) ALDH1A1MAPT
Bromide SCHEMBL6500845 0.80 EPHX1 (0.43) ALDH1A1MAPT
Bromide SCHEMBL6508237 0.78 TDP1 (0.41) TDP1
Bromide SCHEMBL6508243 0.78 TDP1 (0.41) TDP1
SCHEMBL6427761 0.78 NPC1 (0.42) ALDH1A1MAPT
Bromide SCHEMBL6507724 0.77 LMNA (0.40) ALDH1A1MAPTNPSR1

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
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 ALDH1A1 67/4885MAPT 3607/4885DRD4 1050/4885

“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.