SCHEMBL3039418

SCHEMBL3039418

CC(C)(C)OC(=O)NCCc1cc(Cl)ccc1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.54
▸ HPGD P15428 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TP53 P04637 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NQO2 P16083 1/20 0.48
▸ LMNA P02545 2/20 0.45
▸ DRD2 P14416 4/20 0.44
▸ TSHR P16473 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.43

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
SCHEMBL6920257 0.86 IDO1 (0.55) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL6921462 0.85 IDO1 (0.54) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL3658450 0.83 ALDH1A1 (0.55) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL17643900 0.83 IDO1 (0.55) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL30313133 0.83 ALDH1A1 (0.55) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL28354505 0.82 IDO1 (0.54) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL1197122 0.81 IDO1 (0.47) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL3656936 0.80 IDO1 (0.52) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL21282329 0.76 IDO1 (0.53) IDO1HPGDALDH1A1HTTKDM4E
SCHEMBL3695999 0.76 NQO2 (0.62) IDO1HPGDALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 — — US claimed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 — — EP claimed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 — — WO claimed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 — — WO claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 — — US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 — — EP disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 — — WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 — — 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 IDO1 1577/4885HPGD 472/4885ALDH1A1 1186/4885

“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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