SCHEMBL12060030

SCHEMBL12060030

CCN(CC)C(=O)Oc1ccc(C(=O)Nc2cc(C(=O)OC)cc3c(C)c[nH]c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAOA P21397 2/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL12059477 0.89 KMT2A (0.45) MEN1KMT2AGRIN2DGRIN2CSMN1; SMN2
SCHEMBL12044263 0.70 MEN1 (0.58) MEN1KMT2ASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL12044319 0.69 DHPS (0.60) MEN1KMT2AGRIN2DGRIN2CSMN1; SMN2
SCHEMBL12044296 0.69 GRIN2D (0.55) MEN1KMT2AGRIN2DGRIN2CSMN1; SMN2
SCHEMBL12043935 0.69 GRIN2D (0.79) MEN1KMT2AGRIN2DGRIN2CSMN1; SMN2
SCHEMBL12059797 0.67 MEN1 (0.44) MEN1KMT2AGRIN2DGRIN2CSMN1; SMN2
SCHEMBL12044287 0.65 L3MBTL1 (0.56) MEN1KMT2AGRIN2DGRIN2CSMN1; SMN2
SCHEMBL9302685 0.65 MEN1 (1.00) MEN1KMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL12044291 0.65 NPC1 (0.57) MEN1KMT2ASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5623889 0.64 MEN1 (0.88) MEN1KMT2ASMN1; SMN2HSD17B10ALDH1A1

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-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2011-12-29 — — US disclosed
WO-2010088408-A2 SUBUNIT SELECTIVE NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 — — 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-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B MEN1 4356/4885KMT2A 1870/4885GRIN2D 8/4885

“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