SCHEMBL20810213

SCHEMBL20810213

COc1cccc(-c2cc(CNC(=O)c3cccnc3Cl)on2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ DGAT2 Q96PD7 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 2/20 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
SCHEMBL20810070 0.90 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HPGDLMNANPC1
SCHEMBL20810212 0.88 MEN1 (0.52) RXFP1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20810071 0.86 SMN1; SMN2 (0.59) RXFP1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20810039 0.83 KMT2A (0.51) RXFP1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL20810063 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDLMNANPC1
SCHEMBL20810209 0.83 POLB (0.62) RXFP1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20810169 0.82 MEN1 (0.58) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL20810215 0.82 POLB (0.52) SMN1; SMN2ALDH1A1HPGDLMNANPC1
SCHEMBL20810065 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDLMNANPC1
SCHEMBL20810214 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDLMNANPC1

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 RXFP1 635/4885SMN1; SMN2 2249/4885ALDH1A1 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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