SCHEMBL20810044

SCHEMBL20810044

O=C(OCc1cc(-c2ccccc2Cl)no1)c1cccnc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.59
▸ SENP8 Q96LD8 2/20 0.59
▸ SENP7 Q9BQF6 2/20 0.59
▸ SENP6 Q9GZR1 2/20 0.59
▸ POLB P06746 2/20 0.55
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ CYP1A2 P05177 4/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ HTT P42858 3/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL20810042 0.89 TDP1 (0.55) CASP3SENP8SENP7SENP6POLB
SCHEMBL20810014 0.89 KMT2A (0.62) CASP3SENP8SENP7SENP6POLB
SCHEMBL20810047 0.88 POLB (0.51) CASP3SENP8SENP7SENP6POLB
SCHEMBL20810058 0.87 CYP1A2 (0.46) CASP3SENP8SENP7SENP6POLB
SCHEMBL20810041 0.87 POLB (0.50) CASP3SENP8SENP7SENP6POLB
SCHEMBL20809988 0.87 POLB (0.60) CASP3SENP8SENP7SENP6POLB
SCHEMBL20810046 0.83 L3MBTL1 (0.61) CASP3SENP8SENP7SENP6POLB
SCHEMBL20810040 0.82 POLB (0.51) CASP3SENP8SENP7SENP6POLB
SCHEMBL20810050 0.82 KMT2A (0.55) CASP3SENP8SENP7SENP6POLB
SCHEMBL20809980 0.80 ALDH1A1 (0.57) POLBKMT2AMEN1CYP1A2CYP2C19

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 CASP3 600/4885SENP8 4189/4885SENP7 3307/4885

“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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