SCHEMBL17962292

SCHEMBL17962292

O=S(=O)(c1cc(Br)c(O)c2ncccc12)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 8/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ LMNA P02545 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ KDM4E B2RXH2 6/20 0.50
▸ HTT P42858 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ HSP90AA1 P07900 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MCL1 Q07820 1/20 0.48
▸ MAPK1 P28482 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MITF O75030 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ KLF5 Q13887 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
SCHEMBL17962294 0.90 COMT (0.70) COMTSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL17962394 0.90 COMT (0.68) COMTSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL17962285 0.89 COMT (0.67) COMTSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL30574426 0.89 COMT (0.67) COMTSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL17962280 0.85 COMT (0.64) COMTSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL17962377 0.77 LMNA (0.68) COMTSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL17962980 0.77 COMT (0.54) COMTSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL17962330 0.75 SMN1; SMN2 (0.72) COMTSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL30894753 0.74 KDM4E (0.63) SMN1; SMN2LMNAMAPTKDM4EHTT
SCHEMBL27253837 0.74 KDM4E (0.63) SMN1; SMN2LMNAMAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP claimed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US claimed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US claimed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US claimed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP claimed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO claimed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US claimed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — 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 (4 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-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885SMN1; SMN2 603/4885LMNA 4344/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885SMN1; SMN2 603/4885LMNA 4344/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885SMN1; SMN2 603/4885LMNA 4344/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885SMN1; SMN2 603/4885LMNA 4344/4885

“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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