SCHEMBL6426489

SCHEMBL6426489

O=C(CC1SC(NC2CCCCCC2)=NC1=O)NCc1c(F)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.43
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 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
Hydrochloric Acid SCHEMBL6427199 0.83 P2RX7 (0.40) P2RX7ALDH1A1ATMKMT2AL3MBTL1
SCHEMBL6468305 0.82 P2RX7 (0.48) P2RX7ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6506396 0.82 P2RX7 (0.45) P2RX7ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6388927 0.80 KDM4E (0.41) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL6390194 0.79 NPC1 (0.45) P2RX7NPC1RAB9AGAA
SCHEMBL6428643 0.79 NPC1 (0.45) P2RX7NPC1RAB9AGAA
SCHEMBL6498552 0.79 P2RX7 (0.46) P2RX7ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6426518 0.79 NPC1 (0.48) P2RX7ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6504984 0.78 SMN1; SMN2 (0.44) P2RX7NPC1RAB9AGAA
SCHEMBL6387573 0.78 SMN1; SMN2 (0.44) P2RX7NPC1RAB9AGAA

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 3883/4885ALDH1A1 67/4885KDM4E 2824/4885

“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.