SCHEMBL20810155

SCHEMBL20810155

O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ NOTUM Q6P988 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2E1 P05181 1/20 0.46
▸ CYP2A6 P11509 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
SCHEMBL20810037 0.90 TDP1 (0.59) KMT2AALDH1A1LMNATDP1MAPK1
SCHEMBL20810154 0.89 TDP1 (0.54) KMT2AALDH1A1LMNATDP1MEN1
SCHEMBL20810153 0.89 TDP1 (0.54) KMT2AALDH1A1LMNATDP1MAPK1
SCHEMBL20810152 0.88 TDP1 (0.53) KMT2AALDH1A1LMNATDP1MEN1
SCHEMBL20810163 0.87 SMN1; SMN2 (0.54) KMT2AALDH1A1LMNATDP1MAPK1
SCHEMBL20810161 0.86 TDP1 (0.58) KMT2AALDH1A1LMNATDP1MAPK1
SCHEMBL20810149 0.86 TDP1 (0.51) KMT2AALDH1A1LMNATDP1MEN1
SCHEMBL20809990 0.86 ALDH1A1 (0.52) KMT2AALDH1A1LMNATDP1MEN1
SCHEMBL20809994 0.83 ALDH1A1 (0.57) KMT2AALDH1A1LMNATDP1MEN1
SCHEMBL20810046 0.80 L3MBTL1 (0.61) KMT2AALDH1A1TDP1MEN1SMN1; SMN2

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 3849/4885ALDH1A1 1755/4885LMNA 1586/4885

“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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