SCHEMBL20810152

SCHEMBL20810152

CCc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ LMNA P02545 4/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP2E1 P05181 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL20810154 0.90 TDP1 (0.54) TDP1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL20810037 0.89 TDP1 (0.59) TDP1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL20810163 0.88 SMN1; SMN2 (0.54) TDP1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL20810153 0.88 TDP1 (0.54) TDP1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL20810155 0.88 KMT2A (0.54) TDP1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL20810161 0.87 TDP1 (0.58) TDP1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL20810149 0.85 TDP1 (0.51) TDP1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL20810166 0.82 ALDH1A1 (0.53) TDP1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL20810145 0.82 SMN1; SMN2 (0.53) LMNAKMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL20810162 0.80 TDP1 (0.53) TDP1MAPK1LMNAKMT2AL3MBTL1

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 TDP1 4152/4885MAPK1 2212/4885LMNA 1586/4885

“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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