SCHEMBL23259366

SCHEMBL23259366

O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccc(O)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
ME2 P23368 3/20 0.58
ME1 P48163 3/20 0.58
ME3 Q16798 3/20 0.58
AR P10275 2/20 0.58
HRH3 Q9Y5N1 11/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
DEGS1 O15121 1/20 0.53

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
SCHEMBL23244270 1.00 SIGMAR1 (0.64) SIGMAR1ME2ME1ME3AR
SCHEMBL23244239 0.83 ME2 (0.58) SIGMAR1ME2ME1ME3LMNA
SCHEMBL3670009 0.77 RAB9A (0.68) SIGMAR1ME2ME1ME3AR
SCHEMBL21551525 0.77 ME2 (0.66) ME2ME1ME3ALDH1A1LMNA
SCHEMBL3669245 0.77 ALDH1A1 (0.54) SIGMAR1ARHRH3MEN1ALDH1A1
SCHEMBL23244366 0.76 TDP1 (0.63) ME2ME1ME3MEN1ALDH1A1
SCHEMBL29576883 0.76 ME2 (0.58) ME2ME1ME3
SCHEMBL23244158 0.76 ME2 (0.58) ME2ME1ME3
SCHEMBL3671122 0.76 ALDH1A1 (0.53) SIGMAR1ARHRH3MEN1ALDH1A1
SCHEMBL3666512 0.76 RAB9A (0.60) SIGMAR1ME2ME1ME3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 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 (3 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 SIGMAR1 4820/4885ME2 2/4885ME1 1/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 SIGMAR1 3067/4885ME2 3/4885ME1 1/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 SIGMAR1 4820/4885ME2 2/4885ME1 1/4885

“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.