SCHEMBL2814780

SCHEMBL2814780

Brc1nc2c(Br)cccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
TOP2A P11388 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
NOS1 P29475 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
KMT2A Q03164 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL28435873 0.79 ELANE (0.39) BACE1MAPTSMN1; SMN2TP53TOP2A
SCHEMBL31147003 0.79 PSMB8 (0.35) MAPTSMN1; SMN2TP53TOP2ARAB9A
SCHEMBL5536407 0.79 ELANE (0.44) BACE1MAOBMAOAPIK3CDPIK3CB
SCHEMBL20298203 0.79 BACE1 (0.46) BACE1MAOBMAOAPIK3CDPIK3CB
SCHEMBL10012831 0.79 BACE1 (0.37) BACE1MAOBMAOAPIK3CDPIK3CB
SCHEMBL23387540 0.77 RAB9A (0.46) MAOBMAPTSMN1; SMN2TP53RAB9A
SCHEMBL22085386 0.75 SMN1; SMN2 (0.56) MAPTSMN1; SMN2TP53TOP2AL3MBTL1
SCHEMBL28353014 0.75
SCHEMBL5687096 0.75 ELANE (0.43) BACE1MAOBMAOAPIK3CDPIK3CB
SCHEMBL28356888 0.75 PIK3CD (0.35) BACE1MAOBMAOAPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236984-B2 Compound and use thereof in the treatment of amyloidosis PENTRAXIN THERAPEUTICS LTD. (GB) 2012-08-07 US disclosed
US-20100249233-A1 COMPOUND AND USE THEREOF IN THE TREATMENT OF AMYLOIDOSIS PENTRAXIN THERAPEUTICS LIMITED (GB) 2010-09-30 US disclosed
EP-2203167-A1 COMPOUND AND USE THEREOF IN THE TREATMENT OF AMYLOIDOSIS Pentraxin Therapeutics Limited (GB) 2010-07-07 EP disclosed
US-7651746-B2 Halogenated bisdiarylaminopolycyclic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-7531564-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2009-05-12 US disclosed
WO-2009040405-A1 COMPOUND AND USE THEREOF IN THE TREATMENT OF AMYLOIDOSIS PENTRAXIN THERAPEUTICS LIMITED (GB) 2009-04-02 WO disclosed
EP-1982713-A2 Substituted benzoxazoles and analogues as estrogenic agents Wyeth (US) 2008-10-22 EP disclosed
US-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2008-10-16 US disclosed
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2007-07-19 US disclosed
US-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 US disclosed
US-7129258-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2006-10-31 US disclosed
WO-2006026316-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2006-03-09 WO disclosed
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents WYETH (US) 2006-03-02 US disclosed
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-10-27 US disclosed
WO-2005049546-A1 HALOGENATED BISDIARYLAMINOPOLYCYLIC AROMATIC COMPOUNDS AND POLYMERS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-02 WO disclosed
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-04-14 US disclosed
US-6794403-B2 FOR TREATING OR INHIBITING INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE PROCTITIS OR COLITIS PROSTATIC HYPERTROPHY, UTERINE LEIOMYOMAS, BREAST CANCER, ENDOMETRIAL CANCER, CARDIOVASCULAR DISEASE, ALZHEIMER'S DISEASE WYETH 2004-09-21 US disclosed
EP-1451165-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-01 EP disclosed
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents WYETH 2003-10-23 US disclosed
WO-2003050095-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS WYETH (US) 2003-06-19 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 (8 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-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS ESR1, CYP19A1, ESR2 BACE1 2321/4885MAOB 2169/4885MAOA 1403/4885
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA BACE1 3540/4885MAOB 2692/4885MAOA 1636/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA BACE1 3540/4885MAOB 2692/4885MAOA 1636/4885
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA BACE1 3164/4885MAOB 3432/4885MAOA 3207/4885
US-20100249233-A1 COMPOUND AND USE THEREOF IN THE TREATMENT OF AMYLOIDOSIS TTR, APP, C1QBP BACE1 60/4885MAOB 619/4885MAOA 876/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA BACE1 3540/4885MAOB 2692/4885MAOA 1636/4885
US-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof AHR, AADAC, ARNT BACE1 4256/4885MAOB 1014/4885MAOA 691/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 BACE1 2321/4885MAOB 2169/4885MAOA 1403/4885

“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.