SCHEMBL18502057

SCHEMBL18502057

O=S(=O)(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MBTD1 Q05BQ5 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HTR7 P34969 8/20 0.50
▸ HTR1A P08908 2/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ SFRP1 Q8N474 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ POLB P06746 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
SCHEMBL18502083 0.91 MBTD1 (0.66) MBTD1L3MBTL1HTR7HTR1AHTR2A
SCHEMBL18502069 0.88 MBTD1 (0.55) MBTD1L3MBTL1HTR7HTR1ASFRP1
SCHEMBL18507070 0.88 HTR7 (0.58) MBTD1L3MBTL1HTR7HTR1AHTR2A
SCHEMBL18502080 0.85 HTR1A (0.52) MBTD1L3MBTL1HTR7HTR1ASFRP1
SCHEMBL17194300 0.84 HTR7 (0.61) MBTD1L3MBTL1HTR7HTR1AHTR2A
SCHEMBL17194235 0.84 SIGMAR1 (0.65) MBTD1L3MBTL1HTR7KMT2APOLB
SCHEMBL18506939 0.83 CCR1 (0.54) MBTD1L3MBTL1HTR7HTR1AHTR2A
SCHEMBL25758331 0.82 MEN1 (0.58) HTR7HTR1AHTR2AHTR2CMEN1
SCHEMBL17194302 0.81 L3MBTL1 (0.70) MBTD1L3MBTL1HTR7HTR1AHTR2A
SCHEMBL18502084 0.81 KMT2A (0.60) MBTD1L3MBTL1HTR7LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131890-B1 COMPOUNDS FOR TREATING VIRAL INFECTIONS PASTEUR INSTITUT KOREA (KR) 2019-04-24 — — EP disclosed
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 MBTD1 4074/4885L3MBTL1 992/4885HTR7 4489/4885

“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.

Send feedback