SCHEMBL17962280

SCHEMBL17962280

O=S(=O)(c1ccc(O)c2ncccc12)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 7/20 0.64
▸ KDM4E B2RXH2 5/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HTT P42858 3/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ MITF O75030 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPK1 P28482 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ APP P05067 2/20 0.54
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53

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
SCHEMBL17962330 0.90 SMN1; SMN2 (0.72) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17962294 0.87 COMT (0.70) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17962394 0.87 COMT (0.68) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17962377 0.85 LMNA (0.68) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17962292 0.85 COMT (0.56) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17962285 0.85 COMT (0.67) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL30574426 0.85 COMT (0.67) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL30574411 0.84 COMT (0.68) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17962265 0.84 COMT (0.68) COMTKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17962396 0.83 COMT (0.64) COMTKDM4ESMN1; SMN2MAPTL3MBTL1

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 14 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
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
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP 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

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 1/4885KDM4E 1957/4885SMN1; SMN2 603/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885SMN1; SMN2 603/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885SMN1; SMN2 603/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885SMN1; SMN2 603/4885

“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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