SCHEMBL929607

SCHEMBL929607

C=CCOc1c(C)cccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SCN4A P35499 7/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
NFKB1 P19838 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
KCNK3 O14649 1/20 0.37
CACNA1F O60840 1/20 0.37
KCNK2 O95069 1/20 0.37
GBA1 P04062 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
SCHEMBL5079771 0.87 SCN4A (0.47) CXCR5ALDH1A1LMNASCN4ASCN1A
SCHEMBL1858805 0.87 CA12 (0.39) CXCR5ALDH1A1MEN1KMT2ALMNA
Cyanide SCHEMBL27838351 0.81 CXCR5 (0.44) CXCR5ALDH1A1LMNASCN4ASCN1A
SCHEMBL31093921 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNASCN4A
SCHEMBL22215810 0.80 ALDH1A1 (0.51) CXCR5ALDH1A1LMNASMN1; SMN2SCN4A
SCHEMBL5085836 0.79 MEN1 (0.40) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL23748187 0.79 SMN1; SMN2 (0.35) CXCR5ALDH1A1MEN1KMT2ALMNA
SCHEMBL31413121 0.79 KDM4E (0.51) CXCR5ALDH1A1KMT2ALMNASCN4A
SCHEMBL14236456 0.79 KDM4E (0.51) CXCR5ALDH1A1KMT2ALMNASCN4A
SCHEMBL14236455 0.79 CXCR5 (0.42) CXCR5ALDH1A1LMNASCN4ASCN1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002409-A1 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002409-A1 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1498178-A2 Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers Sumitomo Chemical Company, Limited (JP) 2005-01-19 EP disclosed
CN-1185236-C Transition metal compound, its producing process olefine polymerization catalyst containing the same transition metal compound and process for producing olefine polymer SUMITOMO CHEMICAL CO (JP) 2005-01-19 CN disclosed
EP-0842939-B1 OLEFIN POLYMERIZATION CATALYST CONTAINING A TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
CN-1310183-A Transition metal compound, its producing process olefine polymerization catalyst containing the same transition metal compound and process for producing olefine polymer SUMITOMO CHEMICAL CO (JP) 2001-08-29 CN disclosed
CN-1068884-C Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex, and process for producing olefin polymer SUMITOMO CHEM IND (JP) 2001-07-25 CN disclosed
CN-1193323-A Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex, and process for producing olefin polymer SUMITOMO CHEM IND (JP) 1998-09-16 CN disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 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 (1 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 CXCR5 4277/4885ALDH1A1 4085/4885MEN1 2636/4885

“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.