SCHEMBL6426946

SCHEMBL6426946

O=C(CC1SC(NC2CC3C=CC2C3)=NC1=O)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CLK2 P49760 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
PRKX P51817 1/20 0.40
CAMK2D Q13557 1/20 0.40
PKN2 Q16513 1/20 0.40
STK17A Q9UEE5 1/20 0.40
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL6508258 0.82 MAP2K1 (0.43) ALDH1A1RAB9AMEN1POLBKMT2A
SCHEMBL1606025 0.81 MAPT (0.46) P2RX7IDO1ALDH1A1RAB9AMEN1
SCHEMBL6429151 0.81 CYP2C19 (0.41) ALDH1A1RAB9AMEN1POLBKMT2A
SCHEMBL6427276 0.79 CYP2C19 (0.56) ALDH1A1RAB9AMEN1POLBKMT2A
SCHEMBL6426304 0.76 EPHX2 (0.34) ALDH1A1RAB9AMEN1POLBKMT2A
SCHEMBL6427444 0.75 CYP2C19 (0.41) ALDH1A1RAB9AMEN1POLBKMT2A
SCHEMBL1606042 0.75 POLB (0.44) ALDH1A1RAB9AMEN1POLBKMT2A
SCHEMBL6427367 0.75 MAPT (0.37) ALDH1A1TSHRHSD17B10KDM4EMAPT
SCHEMBL1605665 0.74 ALDH1A1 (0.39) P2RX7ALDH1A1RAB9AMEN1KMT2A
SCHEMBL6426662 0.74 EPHX2 (0.36) ALDH1A1RAB9AMEN1POLBKMT2A

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 P2RX7 3883/4885IDO1 1787/4885ALDH1A1 67/4885

“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.