SCHEMBL17962390

SCHEMBL17962390

O=S(=O)(c1ccc(OCc2ccccc2)c2ncccc12)C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ COMT P21964 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL17962396 0.84 COMT (0.64) MAPTSMN1; SMN2KDM4ECOMTMEN1
SCHEMBL17962405 0.80 COMT (0.48) LMNAMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17962313 0.78 CCR8 (0.49) LMNAMAPTSMN1; SMN2ALDH1A1COMT
SCHEMBL17962403 0.77 ALDH1A1 (0.53) LMNAMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17962288 0.76 MAPT (0.44) LMNAMAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL17960047 0.74 SLC40A1 (0.54) LMNAMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17962347 0.74 SLC40A1 (0.54) LMNAMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17962377 0.72 LMNA (0.68) LMNAMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17962321 0.71 SLC40A1 (0.53) LMNAMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17960051 0.69 COMT (0.63) ALDH1A1KDM4ECOMT

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
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 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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