SCHEMBL8181055

SCHEMBL8181055

O=C(O)Cc1cn(Cc2ccc(Oc3ccc(F)cc3F)cc2)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PPARD Q03181 4/20 0.51
▸ ICMT O60725 2/20 0.48
▸ MCL1 Q07820 3/20 0.47
▸ PPARG P37231 3/20 0.47
▸ PPARA Q07869 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PLA2G2A P14555 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ NR3C1 P04150 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
SCHEMBL8174939 0.92 ALDH1A1 (0.58) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL13931411 0.92 ALDH1A1 (0.56) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL13931513 0.90 LMNA (0.59) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL8180730 0.88 ALDH1A1 (0.60) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL8181052 0.87 ALDH1A1 (0.56) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL8174609 0.86 ALDH1A1 (0.60) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL8186729 0.85 ALDH1A1 (0.59) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL8181417 0.85 ALDH1A1 (0.61) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL8178901 0.84 ALDH1A1 (0.60) ALDH1A1LMNAPPARDICMTMCL1
SCHEMBL13931026 0.84 ALDH1A1 (0.65) ALDH1A1LMNAPPARDICMTMCL1

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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