SCHEMBL8167405

SCHEMBL8167405

O=C(O)Cc1cn(Cc2ccc(Oc3c(F)cccc3F)cc2)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PPARD Q03181 4/20 0.49
▸ PPARG P37231 3/20 0.49
▸ PPARA Q07869 3/20 0.49
▸ ICMT O60725 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MCL1 Q07820 4/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PLA2G2A P14555 1/20 0.46
▸ CDC25A P30304 1/20 0.46
▸ CHRM1 P11229 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL8180099 0.89 LMNA (0.63) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL13931411 0.89 ALDH1A1 (0.56) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL8181052 0.89 ALDH1A1 (0.56) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL8180730 0.88 ALDH1A1 (0.60) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL13931026 0.87 ALDH1A1 (0.65) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL13931512 0.86 ALDH1A1 (0.56) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL8181417 0.86 ALDH1A1 (0.61) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL8174609 0.85 ALDH1A1 (0.60) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL8186729 0.85 ALDH1A1 (0.59) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL8178903 0.84 ALDH1A1 (0.67) ALDH1A1LMNAPPARDPPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 — — 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ALDH1A1 1836/4885LMNA 2969/4885PPARD 3946/4885

“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.

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