SCHEMBL17962293

SCHEMBL17962293

O=S(=O)(c1ccc(O)c2ncccc12)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 6/20 0.69
▸ KDM4E B2RXH2 4/20 0.65
▸ MAPT P10636 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ LMNA P02545 1/20 0.52
▸ FTO Q9C0B1 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL17962355 0.84 COMT (0.72) COMTKDM4EFTOMMP2MMP13
SCHEMBL17962330 0.83 SMN1; SMN2 (0.72) COMTKDM4EMAPTSMN1; SMN2MEN1
SCHEMBL17962424 0.82 COMT (1.00) COMTKDM4EMAPTSMN1; SMN2MEN1
SCHEMBL17962357 0.81 COMT (0.65) COMTKDM4EMAPTFTOMAPK1
SCHEMBL17960049 0.81 COMT (1.00) COMTKDM4ESMN1; SMN2FTO
SCHEMBL13633865 0.81 MAPK1 (0.67) KDM4EMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL17962271 0.80 KDM4E (1.00) COMTKDM4ESMN1; SMN2FTOALDH1A1
SCHEMBL17962335 0.79 COMT (0.73) COMTKDM4EMAPTLMNAFTO
SCHEMBL25433799 0.78 COMT (0.74) COMTKDM4ESMN1; SMN2NPC1LMNA
SCHEMBL17962279 0.77 COMT (0.70) COMTKDM4EFTO

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
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 COMT 1/4885KDM4E 1957/4885MAPT 1246/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885MAPT 1246/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885MAPT 1246/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885MAPT 1246/4885

“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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