SCHEMBL8183003

SCHEMBL8183003

O=C(O)Cc1cn(Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
HTR6 P50406 1/20 0.55
ICMT O60725 4/20 0.55
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ADAM17 P78536 1/20 0.50
MAPK14 Q16539 1/20 0.48
MCL1 Q07820 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47

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
SCHEMBL8174646 0.93 ALDH1A1 (0.56) ALDH1A1LMNAHTR6ICMTCYP1A2
SCHEMBL13931401 0.91 ICMT (0.62) ALDH1A1LMNAHTR6ICMTADAM17
SCHEMBL8188607 0.91 ICMT (0.62) ALDH1A1LMNAHTR6ICMTADAM17
SCHEMBL13931026 0.90 ALDH1A1 (0.65) ALDH1A1LMNAICMTMCL1HDAC1
SCHEMBL13931507 0.88 ALDH1A1 (0.52) ALDH1A1LMNAHTR6ICMTCYP1A2
SCHEMBL8180730 0.88 ALDH1A1 (0.60) ALDH1A1LMNAICMTMAPTSMN1; SMN2
SCHEMBL8186676 0.87 ALDH1A1 (0.54) ALDH1A1LMNAHTR6ICMTMCL1
SCHEMBL8182894 0.87 HTR6 (0.53) ALDH1A1HTR6ICMTCYP1A2CYP3A4
SCHEMBL8178903 0.86 ALDH1A1 (0.67) ALDH1A1LMNAHTR6ICMTSMN1; SMN2
SCHEMBL13931512 0.86 ALDH1A1 (0.56) ALDH1A1LMNAHTR6ICMTMCL1

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 2969/4885HTR6 3506/4885

“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.