SCHEMBL5881048

SCHEMBL5881048

O=C1OC(CCc2ccc(OCc3ccccc3)cc2)(C2CCCC2)CC(O)=C1Sc1nc(O)c2cc[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35
AURKB Q96GD4 1/20 0.35
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
EPHX2 P34913 3/20 0.32
S1PR1 P21453 2/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
MMP13 P45452 1/20 0.31
MAOB P27338 1/20 0.31
FAAH O00519 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PDE2A O00408 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL5880841 0.81 LDHA (0.36) HTR2CHTR2BEPHX2KDM4EKMT2A
SCHEMBL5880726 0.74 ALDH1A1 (0.33) SMN1; SMN2RAB9A
SCHEMBL5880866 0.71 IDO1 (0.37)
SCHEMBL3987428 0.71 XDH (0.35) HTR2CHTR2BEPHX2S1PR1KMT2A
SCHEMBL5880791 0.70 LDHA (0.39)
SCHEMBL5880980 0.70 MAPT (0.38) SMN1; SMN2RAB9A
SCHEMBL3986189 0.69 FFAR1 (0.43) EPHX2KDM4EKMT2ASMN1; SMN2MAOB
SCHEMBL5880793 0.69 NPC1 (0.32) KDM4ESMN1; SMN2BCHE
SCHEMBL6302763 0.69 LDHA (0.33)
SCHEMBL6302765 0.69 LDHA (0.33)

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-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 EGFR 4054/4885TTBK1 1785/4885TTBK2 2944/4885

“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.