SCHEMBL4800547

SCHEMBL4800547

[CH2]OCc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
APP P05067 1/20 0.47
MAOB P27338 3/20 0.45
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP2A6 P11509 1/20 0.42
LMNA P02545 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6245694 0.79 IDO1 (0.58) IDO1APPMAOBHTR2ATAAR1
SCHEMBL649020 0.78 IDO1 (0.64) IDO1APPMAOBHTR2ATAAR1
SCHEMBL9342895 0.78 IDO1 (0.64) IDO1APPMAOBHTR2ATAAR1
SCHEMBL134086 0.76 IDO1 (0.61) IDO1APPMAOBHTR2ATAAR1
SCHEMBL9068656 0.76 IDO1 (0.56) IDO1APPTAAR1LMNACA12
SCHEMBL3165354 0.75 IDO1 (0.54) IDO1APPMAOBHTR2ATAAR1
SCHEMBL1146232 0.74 IDO1 (0.58) IDO1APPMAOBTAAR1CYP2A6
SCHEMBL21578433 0.74 IDO1 (0.58) IDO1APPMAOBHTR2ATAAR1
SCHEMBL514657 0.74 CYP3A4 (0.58) IDO1APP
SCHEMBL1995347 0.74 IDO1 (0.58) IDO1APPMAOBHTR2ATAAR1

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-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
EP-0751113-A1 Optically active phenol derivatives and preparation thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-02 EP disclosed
US-5420363-A Catalytic reaction of phenol with secondary carbinol for enantiomorphs TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed
US-5354913-A Chemical intermediates for drugs or drugs as thromboxane, prostaglandin antagonist, lipoxygenase enzyme inhibitor, antioxidants TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
EP-0582382-A2 Optically active phenol derivatives and preparation thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-02-09 EP disclosed
US-4591648-A Histidine protection NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-05-27 US disclosed
US-4496745-A Epoxycarbacyclin derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1985-01-29 US disclosed
EP-0061933-A2 Histidine protection NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1982-10-06 EP 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 (3 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 890/4885APP 3076/4885MAOB 641/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 IDO1 446/4885APP 4105/4885MAOB 410/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 912/4885APP 3108/4885MAOB 700/4885

“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.