SCHEMBL20810050

SCHEMBL20810050

O=C(OCc1cc(-c2ccc(F)cc2)no1)c1cccnc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.55
▸ TDP1 Q9NUW8 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MEN1 O00255 5/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ PKM P14618 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
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AGTR1 P30556 1/20 0.43
▸ HTT P42858 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
SCHEMBL20810046 0.91 L3MBTL1 (0.61) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20809988 0.90 POLB (0.60) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20810040 0.89 POLB (0.51) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20810048 0.89 POLB (0.48) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20810043 0.88 L3MBTL1 (0.55) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20810051 0.88 L3MBTL1 (0.56) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20810049 0.87 POLB (0.48) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20810025 0.85 RAB9A (0.46) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20810042 0.84 TDP1 (0.55) KMT2ATDP1POLBMEN1L3MBTL1
SCHEMBL20810044 0.82 CASP3 (0.59) KMT2ATDP1POLBMEN1L3MBTL1

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 KMT2A 3849/4885TDP1 4152/4885POLB 2512/4885

“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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