SCHEMBL17962271

SCHEMBL17962271

O=S(=O)(c1ccc(O)c2ncccc12)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 1.00
▸ COMT P21964 11/20 0.97
▸ FTO Q9C0B1 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ BRD4 O60885 1/20 0.52

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
SCHEMBL17960049 0.99 COMT (1.00) KDM4ECOMTFTOSMN1; SMN2
SCHEMBL17962417 0.86 COMT (0.78) KDM4ECOMTFTOSMN1; SMN2ALDH1A1
SCHEMBL17962258 0.86 COMT (0.78) KDM4ECOMTFTOTSHR
SCHEMBL15116255 0.85 KDM4E (0.74) KDM4ECOMTSMN1; SMN2ALDH1A1TSHR
SCHEMBL25433799 0.84 COMT (0.74) KDM4ECOMTFTOSMN1; SMN2ALDH1A1
SCHEMBL17962335 0.83 COMT (0.73) KDM4ECOMTFTOALDH1A1
SCHEMBL1102244 0.83 KDM4E (0.70) KDM4ECOMTSMN1; SMN2ALDH1A1TSHR
SCHEMBL9974085 0.83 KDM4E (0.70) KDM4ECOMTSMN1; SMN2ALDH1A1TSHR
SCHEMBL17962389 0.82 COMT (0.71) KDM4ECOMTFTO
SCHEMBL13820759 0.82 KDM4E (0.69) KDM4ECOMTSMN1; SMN2ALDH1A1TSHR

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 13 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
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP claimed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US claimed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO 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
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

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 KDM4E 1957/4885COMT 1/4885FTO 130/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA KDM4E 1957/4885COMT 1/4885FTO 130/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA KDM4E 1957/4885COMT 1/4885FTO 130/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA KDM4E 1957/4885COMT 1/4885FTO 130/4885

“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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