SCHEMBL20810165

SCHEMBL20810165

COc1ccccc1-c1cc(COC(=O)c2cccnc2)on1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ NPC1 O15118 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20809994 0.85 ALDH1A1 (0.57) TDP1MAPK1KMT2ALMNANPC1
SCHEMBL20810151 0.85 TDP1 (0.53) TDP1MAPK1KMT2ALMNANPC1
SCHEMBL20810168 0.82 MAPT (0.50) TDP1MAPK1KMT2ALMNANPC1
SCHEMBL20810150 0.82 TDP1 (0.50) TDP1MAPK1KMT2ALMNAMAPT
SCHEMBL20810037 0.82 TDP1 (0.59) TDP1MAPK1KMT2ALMNANPC1
SCHEMBL20810163 0.82 SMN1; SMN2 (0.54) TDP1MAPK1KMT2ALMNANPC1
SCHEMBL20810059 0.81 SMN1; SMN2 (0.42) MAPK1KMT2ALMNANPC1MAPT
SCHEMBL20810166 0.80 ALDH1A1 (0.53) TDP1MAPK1KMT2ALMNANPC1
SCHEMBL20810153 0.80 TDP1 (0.54) TDP1MAPK1KMT2ALMNANPC1
SCHEMBL20810154 0.80 TDP1 (0.54) TDP1MAPK1KMT2ALMNANPC1

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 2212/4885KMT2A 3849/4885

“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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