SCHEMBL2862871

SCHEMBL2862871

O=C(O)CCCCCOC(=O)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 5/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 4/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LTB4R Q15722 1/20 0.33
PPARD Q03181 2/20 0.32
MITF O75030 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
WNT3A P56704 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2863664 0.88 LTB4R (0.36) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL2859503 0.84 ALDH1A1 (0.41) ALDH1A1POLBNPC1RAB9AMITF
SCHEMBL2860862 0.83 LTB4R (0.36) POLBNPC1RAB9ALTB4RMITF
SCHEMBL2867351 0.83
SCHEMBL3409152 0.83 LMNA (0.39) LMNAPOLBTP53MAPTNPC1
SCHEMBL2865990 0.81 MAPT (0.38) LMNAPOLBTP53MAPTNPC1
SCHEMBL2860633 0.79 TMPRSS15 (0.38) ALDH1A1LMNAPOLBMAPTNPC1
SCHEMBL2866033 0.79 NPC1 (0.36) POLBMAPTNPC1RAB9ALTB4R
SCHEMBL2857704 0.77 PDE3B (0.37) LMNALTB4RTDP1TSHR
SCHEMBL2861339 0.77 PDE2A (0.32) ALDH1A1LMNALTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 HDAC1 401/4885ALDH1A1 146/4885LMNA 4406/4885

“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.