SCHEMBL17962415

SCHEMBL17962415

C[Si](C)(C)CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.79
▸ MAPT P10636 4/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ ALDH1A1 P00352 6/20 0.59
▸ HTT P42858 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 3/20 0.54
▸ RECQL P46063 1/20 0.51
▸ PKM P14618 2/20 0.48
▸ TRPV4 Q9HBA0 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ COMT P21964 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ USP2 O75604 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL17960031 0.86 COMT (0.60) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL17962330 0.81 SMN1; SMN2 (0.72) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL17962377 0.78 LMNA (0.68) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL14919572 0.75 LMNA (0.77) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL17960037 0.75 ALOX15 (0.52) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL17962280 0.72 COMT (0.64) LMNAMAPTSMN1; SMN2HTTGAA
SCHEMBL9397169 0.70 ALDH1A1 (0.72) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL14919829 0.70 NPC1 (0.70) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL17962390 0.68 LMNA (0.54) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL17962331 0.67 COMT (0.63) LMNAMAPTSMN1; SMN2ALDH1A1HTT

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 7 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 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 LMNA 4344/4885MAPT 1246/4885SMN1; SMN2 603/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA LMNA 4344/4885MAPT 1246/4885SMN1; SMN2 603/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA LMNA 4344/4885MAPT 1246/4885SMN1; SMN2 603/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA LMNA 4344/4885MAPT 1246/4885SMN1; 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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