SCHEMBL6506396

SCHEMBL6506396

O=C(CC1SC(Nc2ccccc2F)=NC1=O)NCc1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
KLKB1 P03952 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 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
SCHEMBL6498552 0.93 P2RX7 (0.46) P2RX7ALDH1A1MAPTKDM4ENSD2
SCHEMBL6468305 0.87 P2RX7 (0.48) P2RX7ALDH1A1MAPTKDM4ENSD2
SCHEMBL6394322 0.83 KMT2A (0.42) P2RX7ALDH1A1MAPTATMHTT
SCHEMBL6426489 0.82 P2RX7 (0.43) P2RX7ALDH1A1MAPTKDM4EGAA
SCHEMBL6432429 0.81 DGAT1 (0.39) P2RX7ALDH1A1MAPTKDM4ENSD2
Trifluoroacetic Acid SCHEMBL6389330 0.81 KMT2A (0.40) P2RX7ALDH1A1MAPTATMHTT
SCHEMBL6501538 0.79 MAPT (0.46) ALDH1A1MAPTKDM4ENSD2GAA
Hydrochloric Acid SCHEMBL6427199 0.78 P2RX7 (0.40) P2RX7ALDH1A1MAPTATMHTT
SCHEMBL6387862 0.73 KDM4E (0.45) ALDH1A1MAPTKDM4ENSD2GAA
SCHEMBL6388541 0.72 MAPT (0.46) ALDH1A1MAPTKDM4ENSD2GAA

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 2 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

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 67/4885MAPT 3607/4885

“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.