SCHEMBL16851065

SCHEMBL16851065

CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ GAA P10253 4/20 0.67
▸ LMNA P02545 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ RAB9A P51151 3/20 0.67
▸ MAPT P10636 3/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ HTT P42858 2/20 0.56
▸ POLB P06746 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ADORA3 P0DMS8 2/20 0.51
▸ HSD17B10 Q99714 3/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL21704512 0.81 LMNA (0.56) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL10744494 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL15976546 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL10375284 0.79 RAB9A (0.62) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL16851056 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL15173427 0.77 NPC1 (0.58) ALDH1A1KDM4ELMNARAB9ANPC1
SCHEMBL23498557 0.76 LMNA (0.53) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL29577150 0.76 LMNA (0.50) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL10554971 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL16563089 0.76 ALDH1A1 (0.75) ALDH1A1KDM4EGAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731117-B2 Compositions of certain manganese accumulating plants CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-22 — — US disclosed
US-11731117-B2 Compositions of certain manganese accumulating plants CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-22 — — US disclosed
US-20200290032-A1 COMPOSITIONS OF CERTAIN MANGANESE ACCUMULATING PLANTS UNIVERSITÉ DE MONTPELLIER (FR) 2020-09-17 — — US disclosed
US-10702860-B2 Use of certain manganese-accumulating plants for carrying out organic chemistry reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-07-07 — — US disclosed
US-20150174566-A1 USE OF CERTAIN MANGANESE-ACCUMULATING PLANTS FOR CARRYING OUT ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-06-25 — — US disclosed
US-20150174566-A1 USE OF CERTAIN MANGANESE-ACCUMULATING PLANTS FOR CARRYING OUT ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-06-25 — — 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 (4 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-11731117-B2 Compositions of certain manganese accumulating plants AS3MT, ME3, CACYBP ALDH1A1 3493/4885KDM4E 3775/4885GAA 206/4885
US-20150174566-A1 USE OF CERTAIN MANGANESE-ACCUMULATING PLANTS FOR CARRYING OUT ORGANIC CHEMISTRY REACTIONS OAT, ME1, ME3 ALDH1A1 1041/4885KDM4E 4391/4885GAA 28/4885
US-10702860-B2 Use of certain manganese-accumulating plants for carrying out organic chemistry reactions OAT, ME1, ME3 ALDH1A1 1041/4885KDM4E 4391/4885GAA 28/4885
US-20200290032-A1 COMPOSITIONS OF CERTAIN MANGANESE ACCUMULATING PLANTS AS3MT, ME3, CACYBP ALDH1A1 3493/4885KDM4E 3775/4885GAA 206/4885

“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.

Send feedback