SCHEMBL13316892

SCHEMBL13316892

O=C(NCc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)OCc1cccs1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.53
PKM P14618 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TDP1 Q9NUW8 1/20 0.52
FABP1 P07148 1/20 0.51
FABP6 P51161 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL13316893 0.86 FAAH (0.56) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8249106 0.84 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8246350 0.83 MEN1 (0.52) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8245728 0.82 ALDH1A1 (0.55) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5600177 0.81 MEN1 (0.67) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL3614199 0.79 LMNA (0.65) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8249156 0.78 SLC6A7 (0.54) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL13316927 0.77 PTGS2 (0.56) LMNAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL13973332 0.76 MEN1 (0.68) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL13959022 0.75 MEN1 (0.67) LMNAMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 LMNA 3772/4885MEN1 116/4885KMT2A 4019/4885

“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.