SCHEMBL6428875

SCHEMBL6428875

O=C1N=C(NC2Cc3ccccc3C2)SC1CCNc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.34
GRIN2B Q13224 3/20 0.33
MAN1B1 Q9UKM7 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ROCK1 Q13464 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
EPHX1 P07099 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6498400 0.86 EPHX1 (0.43) ALDH1A1MAPTEPHX1
Bromide SCHEMBL6500845 0.85 EPHX1 (0.43) ALDH1A1MAPTEPHX1
Bromide SCHEMBL6426590 0.85 EPHX1 (0.43) ALDH1A1MAPTEPHX1
SCHEMBL6427826 0.81 KMT2A (0.45) ALDH1A1MAPT
SCHEMBL6427832 0.81 ALDH1A1 (0.33) MAN1B1ALDH1A1MAPTTDP1
Bromide SCHEMBL6508115 0.80 GLA (0.36) MAN1B1ALDH1A1MAPT
SCHEMBL6428894 0.77 P2RX7 (0.37) GBA1ALDH1A1
SCHEMBL6426173 0.75 EPHX1 (0.40) GBA1ALDH1A1EPHX1
SCHEMBL1605496 0.74 EPHX2 (0.37) GBA1ALDH1A1MAPTEPHX1TDP1
SCHEMBL6389539 0.74 DAPK3 (0.40) ROCK1ALDH1A1EPHX1

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 GBA1 920/4885GRIN2B 1742/4885MAN1B1 700/4885

“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.