SCHEMBL18502080

SCHEMBL18502080

O=S(=O)(NCCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MBTD1 Q05BQ5 1/20 0.51
▸ HTR7 P34969 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SFRP1 Q8N474 1/20 0.47
▸ SIGMAR1 Q99720 4/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ AVPR2 P30518 1/20 0.46
▸ AVPR1A P37288 1/20 0.46
▸ SLC2A1 P11166 1/20 0.45

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
SCHEMBL18502069 0.97 MBTD1 (0.55) HTR1AL3MBTL1MBTD1HTR7KDM4E
SCHEMBL18502078 0.90 L3MBTL1 (0.65) HTR1AL3MBTL1MBTD1HTR7KDM4E
SCHEMBL18507122 0.88 HTR7 (0.50) HTR1AL3MBTL1MBTD1HTR7KDM4E
SCHEMBL17194302 0.87 L3MBTL1 (0.70) HTR1AL3MBTL1MBTD1HTR7KDM4E
SCHEMBL18502084 0.87 KMT2A (0.60) L3MBTL1MBTD1HTR7KDM4EGAA
SCHEMBL18501758 0.87 L3MBTL1 (0.54) HTR1AL3MBTL1MBTD1HTR7KDM4E
SCHEMBL18506938 0.85 L3MBTL1 (0.52) L3MBTL1MBTD1HTR7KDM4EGAA
SCHEMBL18502057 0.85 MBTD1 (0.52) HTR1AL3MBTL1MBTD1HTR7LMNA
SCHEMBL17194300 0.84 HTR7 (0.61) HTR1AL3MBTL1MBTD1HTR7
SCHEMBL18507066 0.84 HTR7 (0.53) HTR1AL3MBTL1MBTD1HTR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 — — US disclosed
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 — — US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 — — US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 — — 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-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, EIF2AK2 HTR1A 4645/4885L3MBTL1 992/4885MBTD1 4074/4885

“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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