SCHEMBL1445110

SCHEMBL1445110

CC(=CBr)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TRPA1 O75762 6/20 0.39
ABCB11 O95342 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
NOS3 P29474 1/20 0.37

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
SCHEMBL1445108 1.00 ALOX5 (0.47) ALOX5PTGS1PTGS2CES2CES1
SCHEMBL6921262 0.80 ALOX5 (0.50) ALOX5PTGS1PTGS2CES2CES1
SCHEMBL4791126 0.80 ALOX5 (0.50) ALOX5PTGS1PTGS2CES2CES1
SCHEMBL28365870 0.80 ALOX5 (0.50) ALOX5PTGS1PTGS2CES2CES1
SCHEMBL1120634 0.76 PTGS1 (0.50) PTGS1CES2CES1SMN1; SMN2MAPT
SCHEMBL16795552 0.76 PTGS1 (0.50) PTGS1CES2CES1SMN1; SMN2MAPT
SCHEMBL991357 0.76 PTGS1 (0.50) PTGS1CES2CES1SMN1; SMN2MAPT
SCHEMBL24474645 0.76 PTPN1 (0.45) ALOX5PTGS1PTGS2CES2CES1
SCHEMBL989951 0.76 CES2 (0.48) PTGS2CES2CES1SMN1; SMN2MAPT
SCHEMBL1120640 0.76 CES2 (0.48) PTGS2CES2CES1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
WO-2015087094-A1 NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SEMMELWEIS EGYETEM (HU) 2015-06-18 WO disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 US disclosed
US-9045482-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-02 US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
WO-2012112966-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
EP-2480078-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-08-01 EP disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 US disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
CN-102046625-A Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES INC 2011-05-04 CN disclosed
WO-2011038161-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 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-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALOX5 455/4885PTGS1 1922/4885PTGS2 2395/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 ALOX5 923/4885PTGS1 291/4885PTGS2 257/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A ALOX5 434/4885PTGS1 2418/4885PTGS2 2427/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C ALOX5 596/4885PTGS1 1112/4885PTGS2 1291/4885

“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.