SCHEMBL20810025

SCHEMBL20810025

O=C(OCc1cc(-c2ccc(F)cc2)no1)c1cc(Cl)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ L3MBTL1 Q9Y468 6/20 0.42
▸ NOTUM Q6P988 2/20 0.41
▸ POLB P06746 3/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL20810057 0.92 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810024 0.89 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810013 0.89 MAPT (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810029 0.89 PPARD (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810018 0.88 L3MBTL1 (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810026 0.88 MAPT (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810017 0.87 L3MBTL1 (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810050 0.85 KMT2A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810028 0.84 TDP1 (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20810052 0.82 L3MBTL1 (0.45) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 RAB9A 1833/4885NPC1 416/4885SMN1; SMN2 2249/4885

“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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