SCHEMBL9102892

SCHEMBL9102892

CC(C)Nc1ccc(Br)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
EGFR P00533 1/20 0.36
IDO1 P14902 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL29673248 1.00 AAK1 (0.43) AAK1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL29539178 0.84 HDAC1 (0.42) AAK1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL8200994 0.84 HDAC1 (0.42) AAK1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL16722382 0.80 AAK1 (0.42) AAK1MAPK1HDAC3HDAC1EGFR
SCHEMBL16722381 0.80 AAK1 (0.42) AAK1MAPK1HDAC3HDAC1EGFR
SCHEMBL10037124 0.78 SIGMAR1 (0.45) LMNAHTTSMN1; SMN2MAPK1IDO1
SCHEMBL3634659 0.78 TDP1 (0.48) SMN1; SMN2IDO1MAPTKDM4EALDH1A1
SCHEMBL956895 0.77 PRKCI (0.50) AAK1MAPK1HDAC3HDAC1EGFR
SCHEMBL4003622 0.77 AAK1 (0.41) AAK1MAPK1HDAC3HDAC1MAPK13
SCHEMBL8776014 0.76 CYP3A4 (0.47) LMNAHTTSMN1; SMN2MAPK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 US disclosed
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 EP disclosed
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 CN disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
WO-2018231745-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. (US) 2018-12-20 WO disclosed
US-20160362382-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL DRUG DEVELOPMENT, LLC 2016-12-15 US disclosed
US-9464059-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20150284336-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL DRUG DEVELOPMENT, LLC 2015-10-08 US disclosed
US-9125901-B2 4-(benzimidazol-2-ylamino)benzamide derivatives and salts or solvates thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-09-08 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO disclosed
EP-2445345-B1 BENZAMIDE DERIVATIVES TRANSLATIONAL GENOMICS RES INST (US) 2014-08-27 EP disclosed
US-20120142922-A1 BENZAMIDE DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2012-06-07 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 (7 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 AAK1 1257/4885LMNA 2749/4885HTT 3156/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 AAK1 1815/4885LMNA 2217/4885HTT 3284/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 AAK1 3029/4885LMNA 1297/4885HTT 1455/4885
US-20120142922-A1 BENZAMIDE DERIVATIVES BRDT, BRD3, BRD2 AAK1 4280/4885LMNA 1502/4885HTT 3502/4885
US-20150284336-A1 BENZAMIDE DERIVATIVES BRDT, BRD3, BRD2 AAK1 4280/4885LMNA 1502/4885HTT 3502/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 AAK1 1257/4885LMNA 2749/4885HTT 3156/4885
US-20160362382-A1 BENZAMIDE DERIVATIVES BRDT, BRD3, BRD2 AAK1 4280/4885LMNA 1502/4885HTT 3502/4885

“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.