SCHEMBL20810059

SCHEMBL20810059

COc1ccccc1-c1cc(COC(=O)c2ccc(C(F)(F)F)nc2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 6/20 0.42
▸ LMNA P02545 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ HTT P42858 2/20 0.41
▸ STAT3 P40763 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ TP53 P04637 4/20 0.41
▸ CACNA1G O43497 1/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ HSD17B10 Q99714 5/20 0.41

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
SCHEMBL20810061 0.87 TDP1 (0.39) SMN1; SMN2L3MBTL1NPC1POLBRAB9A
SCHEMBL20810055 0.87 OXTR (0.40) CACNA1GMAPTALDH1A1
SCHEMBL20810064 0.87 MAPT (0.44) SMN1; SMN2L3MBTL1NPC1POLBRAB9A
SCHEMBL20810199 0.84 MAPT (0.53) SMN1; SMN2L3MBTL1NPC1POLBRAB9A
SCHEMBL20810184 0.84 KDM1A (0.46) SMN1; SMN2L3MBTL1NPSR1LMNAHPGD
SCHEMBL20810053 0.83 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1NPC1POLBRAB9A
SCHEMBL20810054 0.82 TDP1 (0.49) SMN1; SMN2L3MBTL1NPC1RAB9ANPSR1
SCHEMBL20810138 0.82 TP53 (0.44) SMN1; SMN2L3MBTL1NPC1POLBRAB9A
SCHEMBL20809998 0.82 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1NPC1POLBRAB9A
SCHEMBL20810165 0.81 TDP1 (0.51) SMN1; SMN2L3MBTL1NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2019-03-14 — — 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-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR3, NAPRT SMN1; SMN2 2249/4885L3MBTL1 1941/4885NPC1 416/4885

“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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