SCHEMBL20810047

SCHEMBL20810047

COc1ccccc1-c1cc(COC(=O)c2cccnc2Cl)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.51
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 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
SCHEMBL20810020 0.88 POLB (0.44) POLBRAB9ALMNAL3MBTL1NPC1
SCHEMBL20810044 0.88 CASP3 (0.59) POLBKMT2AMEN1RAB9ALMNA
SCHEMBL20810042 0.86 TDP1 (0.55) POLBKMT2AMEN1LMNACASP3
SCHEMBL20810041 0.83 POLB (0.50) POLBKMT2AMEN1RAB9ALMNA
SCHEMBL20810215 0.83 POLB (0.52) POLBKMT2AMEN1RAB9ALMNA
SCHEMBL20809988 0.83 POLB (0.60) POLBKMT2AMEN1RAB9ACASP3
SCHEMBL20810051 0.83 L3MBTL1 (0.56) POLBKMT2AMEN1RAB9ALMNA
SCHEMBL20810014 0.82 KMT2A (0.62) POLBKMT2AMEN1RAB9ALMNA
SCHEMBL20810040 0.81 POLB (0.51) POLBKMT2AMEN1RAB9ALMNA
SCHEMBL20810046 0.80 L3MBTL1 (0.61) POLBKMT2AMEN1RAB9ACASP3

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 POLB 2512/4885KMT2A 3849/4885MEN1 1993/4885

“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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