SCHEMBL5862498

SCHEMBL5862498

CCCCCS(=O)(=O)c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
FAAH O00519 2/20 0.39
TXNRD1 Q16881 4/20 0.37
GSR P00390 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SOAT1 P35610 1/20 0.36
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL7289744 0.80 KEAP1 (0.36) KEAP1NFE2L2
SCHEMBL7289748 0.78 CA2 (0.44) KEAP1NFE2L2CA2
SCHEMBL10727966 0.78 COMT (0.43) KDM4ETHRB
SCHEMBL3413877 0.78 KEAP1 (0.60) KDM4EHPGDKEAP1NFE2L2CYP1A2
SCHEMBL29291621 0.77 KEAP1 (0.58) KDM4EHPGDTXNRD1GSRKEAP1
SCHEMBL18958933 0.77 KEAP1 (0.58) KDM4EHPGDTXNRD1GSRKEAP1
SCHEMBL11788309 0.74 SOAT1 (0.35) FAAHTXNRD1GSRSOAT1
SCHEMBL11882105 0.74 CA12 (0.36) KDM4EHPGDFAAHTXNRD1GSR
SCHEMBL22894765 0.73 ALDH1A1 (0.37) KDM4EKEAP1NFE2L2
SCHEMBL8910376 0.72 HPGD (0.54) KDM4EHPGDTHRA

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
WO-2004108722-A1 ORTHOCONDENSED POLYCYCLIC AMINOPYRROLE DERIVATIVES COMPRISING AN ELECTRO-ATTRACTIVE SUBSTITUENT, COMBINATION PRODUCTS OF SAID DERIVATIVES, AND METHOD FOR THE PRODUCTION THEREOF PIERRE FABRE UROLOGIE (FR) 2004-12-16 WO claimed
US-7112585-B2 Pyrimidine derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
WO-2004108722-A1 ORTHOCONDENSED POLYCYCLIC AMINOPYRROLE DERIVATIVES COMPRISING AN ELECTRO-ATTRACTIVE SUBSTITUENT, COMBINATION PRODUCTS OF SAID DERIVATIVES, AND METHOD FOR THE PRODUCTION THEREOF PIERRE FABRE UROLOGIE (FR) 2004-12-16 WO disclosed
US-20040229891-A1 Pyrimidine derivatives as corticotropin releasing factor inhibitors HARTZ RICHARD A (US) 2004-11-18 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-20040229891-A1 Pyrimidine derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 KDM4E 4445/4885HPGD 376/4885FAAH 97/4885

“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.