SCHEMBL416139

SCHEMBL416139

Fc1cc(OCc2ccccc2)c(F)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.48
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PTGER1 P34995 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
S1PR5 Q9H228 1/20 0.42
LIPE Q05469 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
SCHEMBL20521874 0.93 KDM1A (0.48) KDM1ARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL30221893 0.93 KDM1A (0.48) KDM1ARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL31166845 0.90 RAB9A (0.49) KDM1ARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL16636496 0.88 RAB9A (0.50) KDM1ARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL23048779 0.85 KDM1A (0.48) KDM1ARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL21835674 0.85 MRGPRX4 (0.53) KDM1ARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL21835660 0.85 MAPT (0.49) KDM1ARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL18556063 0.85 RAB9A (0.46) KDM1ARAB9ASMN1; SMN2MAOBMAPT
SCHEMBL30443242 0.84 CTSV (0.53) RAB9ASMN1; SMN2MAPTL3MBTL1NPC1
SCHEMBL4970541 0.84 CTSV (0.53) RAB9ASMN1; SMN2MAPTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
WO-2017044877-A1 PHENETHYLDIHYDROBENZODIOXOLONES AND METHODS OF USE SEQUOIA SCIENCES, INC. (US) 2017-03-16 WO disclosed
WO-2017044877-A1 PHENETHYLDIHYDROBENZODIOXOLONES AND METHODS OF USE SEQUOIA SCIENCES, INC. (US) 2017-03-16 WO disclosed
US-9562031-B1 Phenethyldihydrobenzodioxolones and methods of use SEQUOIA SCIENCES, INC. (US) 2017-02-07 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
EP-2395004-B1 Pyrrolo [2,3-b]pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2016-01-20 EP disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US disclosed
EP-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
WO-1994010179-A1 ARYLBORON ACIDS AS INTERMEDIATES IN THE PRODUCTION OF COMPONENTS OF LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KDM1A 2465/4885RAB9A 1597/4885SMN1; SMN2 1839/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KDM1A 2465/4885RAB9A 1597/4885SMN1; SMN2 1839/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KDM1A 2465/4885RAB9A 1597/4885SMN1; SMN2 1839/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KDM1A 2465/4885RAB9A 1597/4885SMN1; SMN2 1839/4885
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HTR2C, HTR1A, HTR1B KDM1A 1231/4885RAB9A 2441/4885SMN1; SMN2 2183/4885

“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.