SCHEMBL18838447

SCHEMBL18838447

O=C(Nc1nnc(-c2ccccc2)o1)c1cnccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.64
▸ L3MBTL1 Q9Y468 7/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ HTT P42858 3/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ ALOX12 P18054 1/20 0.60
▸ CXCR5 P32302 1/20 0.60
▸ APLNR P35414 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ CCR6 P51684 1/20 0.60
▸ TSHR P16473 1/20 0.57
▸ PTGS2 P35354 2/20 0.56
▸ EGFR P00533 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ ADCY1 Q08828 2/20 0.54
▸ ADCY8 P40145 1/20 0.54
▸ MEN1 O00255 1/20 0.54

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
SCHEMBL29364755 0.83 ALDH1A1 (0.55) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL18838502 0.83 ALDH1A1 (0.55) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL17717009 0.78 KDM4E (0.87) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL28823005 0.78 KDM4E (0.83) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL26883996 0.77 KDM4E (0.65) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL3759768 0.75 PTGS2 (0.76) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL26665270 0.75 KDM4E (1.00) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL18838472 0.74 KDM4E (0.60) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL1452104 0.74 RAB9A (0.71) L3MBTL1ALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL4547969 0.74 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2LMNAALOX15

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108289886-B Ion channel inhibiting compounds, pharmaceutical formulations and uses 安华赛公司 2022-01-28 — — CN disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US disclosed
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 — — US disclosed
EP-3340988-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES Afasci, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 — — WO disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 — — WO 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 (2 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H KDM4E 2152/4885L3MBTL1 2642/4885ALDH1A1 2756/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H KDM4E 2152/4885L3MBTL1 2642/4885ALDH1A1 2756/4885

“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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