SCHEMBL3661128

SCHEMBL3661128

CCOc1ccc(CCBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.61
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ LTA4H P09960 2/20 0.47
▸ ACACB O00763 2/20 0.45
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.44
▸ SIGMAR1 Q99720 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
SCHEMBL28025418 0.94 NQO1 (0.54) NQO1TDP1TSHRLTA4HACACB
SCHEMBL8070933 0.88 NQO1 (0.56) NQO1TDP1TSHRLTA4HACACB
SCHEMBL8070892 0.86 NQO1 (0.54) NQO1TDP1TSHRLTA4HLMNA
SCHEMBL8071429 0.84 NQO1 (0.52) NQO1TDP1TSHRLTA4HLMNA
SCHEMBL8078247 0.84 NQO1 (0.52) NQO1TDP1TSHRLTA4HLMNA
SCHEMBL8062743 0.84 NQO1 (0.52) NQO1TDP1TSHRLTA4HLMNA
SCHEMBL8062729 0.84 NQO1 (0.52) NQO1TDP1TSHRLTA4HLMNA
SCHEMBL8063380 0.84 NQO1 (0.52) NQO1TDP1TSHRLTA4HLMNA
SCHEMBL25168555 0.83 LMNA (0.59) LTA4HACACBSLC5A1SLC5A2LMNA
SCHEMBL9621406 0.83 LMNA (0.53) TSHRLTA4HLMNASMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 — — US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 — — US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 — — US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 — — US disclosed
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 — — US disclosed
EP-2726470-B1 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2015-04-29 — — EP disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 — — US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 — — US disclosed
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 — — US disclosed
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 — — EP disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 — — WO disclosed
EP-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 — — EP disclosed
EP-0657460-B1 A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-04-12 — — EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 — — US disclosed
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 — — EP disclosed
EP-0727428-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-21 — — EP disclosed
US-5496501-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-03-05 — — US disclosed
EP-0657460-A1 A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-14 — — EP disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 — — US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 — — EP 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 (3 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-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases MAPT, PSEN1, PSEN2 NQO1 658/4885TDP1 21/4885TSHR 3842/4885
US-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A NQO1 3147/4885TDP1 2317/4885TSHR 704/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A NQO1 3147/4885TDP1 2317/4885TSHR 704/4885

“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.

Send feedback