SCHEMBL17040561

SCHEMBL17040561

CCOc1ncc(Cl)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
TSHR P16473 4/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.36
GRM5 P41594 1/20 0.35
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL11890406 0.83 TSHR (0.43) GABRA1GABRB1TSHRLMNACYP2C9
SCHEMBL21030737 0.83 PLAU (0.43) GABRA1GABRB1TSHRLMNACYP2C9
SCHEMBL20086562 0.83 GABRA1 (0.39) GABRA1GABRB1TSHRLMNACYP2C9
SCHEMBL21031218 0.80 CHRNA4 (0.51) SMN1; SMN2ALDH1A1TDP1KDM4EMAPT
SCHEMBL16386821 0.79 SLC13A5 (0.40) TSHRLMNASMN1; SMN2ALDH1A1GRM5
SCHEMBL28393131 0.79 TSHR (0.55) TSHRLMNACYP2C9APEX1SMN1; SMN2
SCHEMBL18751309 0.78 GABRA1 (0.39) GABRA1GABRB1LMNASMN1; SMN2GRM5
SCHEMBL4573329 0.77 SSTR4 (0.40) TSHRLMNACYP2C9APEX1SMN1; SMN2
SCHEMBL2005246 0.76 PLAU (0.40) TSHRLMNACYP2C9APEX1SMN1; SMN2
SCHEMBL2452622 0.76 LTA4H (0.39) TSHRLMNACYP2C9APEX1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-07-13 US disclosed
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-03-04 US disclosed
US-10611740-B2 Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2020-04-07 US disclosed
US-20190135768-A1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-09 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
WO-2015125785-A1 PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS 第一三共株式会社 2015-08-27 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 (5 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-20190135768-A1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORB, RORA, RORC GABRA1 227/4885GABRB1 150/4885TSHR 850/4885
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC GABRA1 201/4885GABRB1 149/4885TSHR 1119/4885
US-10611740-B2 Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC GABRA1 224/4885GABRB1 148/4885TSHR 971/4885
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL GABRA1 2708/4885GABRB1 2996/4885TSHR 3682/4885
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORB, RORA, RORC GABRA1 219/4885GABRB1 155/4885TSHR 978/4885

“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.