SCHEMBL20810065

SCHEMBL20810065

CCc1ccc(-c2cc(CNC(=O)c3cccnc3Cl)on2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ POLB P06746 3/20 0.52
▸ HTT P42858 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ ROCK2 O75116 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ KLK1 P06870 1/20 0.43
▸ SUCNR1 Q9BXA5 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL20810063 0.90 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL20810209 0.89 POLB (0.62) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL20810071 0.88 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL20810214 0.88 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL20810070 0.87 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL20810068 0.87 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL20810281 0.86 POLB (0.55) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL20810205 0.85 LMNA (0.53) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL20810043 0.82 L3MBTL1 (0.55) SMN1; SMN2LMNAPOLBHTTL3MBTL1
SCHEMBL20810145 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1HPGDPOLB

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 SMN1; SMN2 2249/4885LMNA 1586/4885ALDH1A1 1755/4885

“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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