SCHEMBL6427585

SCHEMBL6427585

O=C1N=C(NC2CC3C=CC2C3)SC1CCN1CCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CHRM2 P08172 15/20 0.38
CHRM4 P08173 15/20 0.38
CHRM1 P11229 15/20 0.38
CHRM3 P20309 14/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6429047 0.95 ALDH1A1 (0.38) ALDH1A1GAACYP1A2CYP3A4CYP2D6
SCHEMBL6507788 0.82 ALDH1A1 (0.39) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL6426995 0.82 SIGMAR1 (0.30)
SCHEMBL6427655 0.79 LMNA (0.36) CYP3A4CYP2D6CHRM2CHRM4CHRM1
SCHEMBL6426277 0.79 ALDH1A1 (0.43) ALDH1A1GAACYP3A4MEN1KMT2A
SCHEMBL6426459 0.78 ACHE (0.36) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6426125 0.75 EPHX2 (0.33) ALDH1A1GAA
SCHEMBL1605406 0.74 EPHX2 (0.32) ALDH1A1GAA
SCHEMBL6429217 0.74 EPHX2 (0.35) ALDH1A1GAA
SCHEMBL6427323 0.74 DPP4 (0.40) ALDH1A1KDM4EMEN1KMT2A

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 ALDH1A1 67/4885GAA 522/4885CYP1A2 48/4885

“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.